07.01: Validating Small Molecule Crystal Structures for Correctness, Quality and Precision

Invited Abstracts

Santa Barbara

Sunday, July 22




08:30 - 08:35 AM
Introduction. Curt Haltiwanger.

08:35 - 09:00 AM 07.01.01
(W0011)
David Watkin.
Structure Validation - An Emotive Issue.
et al: Richard Cooper.

09:00 - 09:30 AM 07.01.02
(W0053)
Peter Müller.
All Electrons are Blue.

09:30 - 10:00 AM 07.01.03
(W0009)
Howard Flack.
Reporting and Evaluating Absolute- Structure and Absolute- Configuration Determinations.
et al: Gérald Bernardinelli.

10:00 - 10:30 AM
Coffee Break.

10:30 - 11:00 AM 07.01.04
(W0021)
Michael A. Hoyland.
Implementation of Data- Validation Criteria at the IUCr.
et al: Gillian F. Holmes, Brian McMahon, Peter R. Strickland.

11:00 - 11:30 AM 07.01.05
(W0056)
Anthony Spek.
Structure Validation: Automated Detection of Poor and Incorrect Single Crystal Structures.

11:30 - 12:00 AM 07.01.06
(W0013)
Anthony Linden.
Acta Cryst. Data Validation: The Human Element.

01:30 - 02:00 PM 07.01.07
(W0203)
George M. Sheldrick.
Uses and Abuses of SHELX.

02:00 - 02:30 PM 07.01.08
(W0027)
I. David Brown.
Does your Inorganic Crystal Structure Make Sense?

02:30 - 03:00 PM 07.01.09
(W0068)
Stephen Maginn.
Mogul - A Knowledge Base of Molecular Geometries.
et al: Robin Taylor, Jie Luo, Magnus Kessler, Jason Cole, Barry Smith.

03:00 - 03:30 PM
Coffee Break.

03:30 - 04:00 PM 07.01.10
(W0328)
R. Curtis Haltiwanger.
Validating Small Molecule Structures in a Corporate Environment.

04:00 - 04:30 PM 07.01.11
(W0280)
Carolyn P. Brock.
Measures of Pseudosymmetry.

04:30 - 05:00 PM 07.01.12
(E0006)
Richard L. Harlow.
"ORTEP of The Year" Award: The Requiem.

05:00 - 05:30 PM
Panel Discussion.


Contact: aca-inquiries@hwi.buffalo.edu

Last updated: Mon Jun 25 15:49:27 EDT 2001


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