Crystallography Open Database

Information card for entry 7219477

7219476 << 7219477 >> 7219478

Preview

Coordinates	7219477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H42 N4 O9
Calculated formula	C41 H42 N4 O9
Title of publication	X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip
Authors of publication	Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	11
Pages of publication	2245
a	8.7063 ± 0.001 Å
b	11.0579 ± 0.0013 Å
c	20.271 ± 0.002 Å
α	99.383 ± 0.002°
β	98.246 ± 0.002°
γ	95.472 ± 0.002°
Cell volume	1891.4 ± 0.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2025
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
180525 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219477.cif
133224	2015-03-06	cif/ Updating files of 7219475, 7219476, 7219477, 7219478, 7219479 Original log message: Adding full bibliography for 7219475--7219479.cif.	7219477.cif
130904	2015-02-04	cif/ Adding structures of 7219475, 7219476, 7219477, 7219478, 7219479 via cif-deposit CGI script.	7219477.cif