Crystallography Open Database

Information card for entry 1558654

Preview

Coordinates	1558654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H25 N O
Calculated formula	C37 H25 N O
SMILES	O1c2ccc3ccc4c5ccccc5n(c4c3c2C=CC1(c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Synthesis and photochromic behaviour of a series of benzopyrans bearing an N-phenyl-carbazole moiety: photochromism control by the steric effect.
Authors of publication	Frigoli, Michel; Jousselin-Oba, Tanguy; Mamada, Masashi; Marrot, Jérôme; Zangarelli, Agnese; Pannacci, Danilo; Adachi, Chihaya; Ortica, Fausto
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2020
Journal volume	19
Journal issue	10
Pages of publication	1344 - 1355
a	31.8763 ± 0.0012 Å
b	6.7502 ± 0.0002 Å
c	27.2595 ± 0.001 Å
α	90°
β	114.087 ± 0.002°
γ	90°
Cell volume	5354.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0621
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
258982 (current)	2020-11-06	cif/ Updating files of 1558654 Original log message: Adding full bibliography for 1558654.cif.	1558654.cif
254464	2020-07-22	cif/ Adding structures of 1558654 via cif-deposit CGI script.	1558654.cif