Crystallography Open Database

Information card for entry 7058094

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Structure parameters

Formula	C20 H17 N3 O2
Calculated formula	C20 H17 N3 O2
Title of publication	Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures
Authors of publication	Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	6
Pages of publication	2740
a	26.181 ± 0.001 Å
b	24.18 ± 0.0008 Å
c	10.7074 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6778.4 ± 0.4 Å³
Cell temperature	290 K
Ambient diffraction temperature	290 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7058094.cif
224829	2019-11-08	cif/ Updating files of 7058094, 7058095, 7058096, 7058097 Original log message: Adding full bibliography for 7058094--7058097.cif.	7058094.cif
212985	2019-01-11	cif/ Adding structures of 7058094, 7058095, 7058096, 7058097 via cif-deposit CGI script.	7058094.cif