Crystallography Open Database

Information card for entry 4506166

Preview

Coordinates	4506166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H54 Cu N4 O6
Calculated formula	C38 H54 Cu N4 O6
Title of publication	Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions
Authors of publication	Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	2719
a	8.8882 ± 0.0004 Å
b	8.9048 ± 0.0004 Å
c	12.3155 ± 0.0006 Å
α	73.268 ± 0.001°
β	85.146 ± 0.001°
γ	81.301 ± 0.001°
Cell volume	921.87 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179597 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/61.	4506166.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506166.cif
62160	2012-07-07	cif/ Adding structures of 4506166 via cif-deposit CGI script.	4506166.cif