Crystallography Open Database

Information card for entry 7211290

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Structure parameters

Formula	C25 H24 N2
Calculated formula	C25 H24 N2
Title of publication	The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
Authors of publication	Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2013
Journal volume	15
Journal issue	20
Pages of publication	7848 - 7853
a	36.809 ± 0.006 Å
b	12.205 ± 0.002 Å
c	8.9185 ± 0.0015 Å
α	90°
β	95.551 ± 0.002°
γ	90°
Cell volume	3987.9 ± 1.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	393 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2142
Weighted residual factors for all reflections included in the refinement	0.2205
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7211290.cif
180443	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 7/21/12.	7211290.cif
90256	2013-11-17	cif/ Adding structures of 7211289, 7211290, 7211291, 7211292, 7211293, 7211294, 7211295, 7211296 via cif-deposit CGI script.	7211290.cif