Crystallography Open Database

Information card for entry 4505423

Preview

Coordinates	4505423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H70 N5 O9
Calculated formula	C74 H70 N5 O9
Title of publication	Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks
Authors of publication	Ma, Bao-Qing; Coppens, Philip
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	6
Pages of publication	1377
a	43.736 ± 0.012 Å
b	12.632 ± 0.004 Å
c	28.391 ± 0.005 Å
α	90°
β	129.094 ± 0.009°
γ	90°
Cell volume	12174 ± 6 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2081
Residual factor for significantly intense reflections	0.1063
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2488
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179589 (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 4/50/54.	4505423.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505423.cif
51428	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505423 via cif-deposit CGI script.	4505423.cif