Crystallography Open Database

Information card for entry 7232658

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Coordinates	7232658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N3 O5
Calculated formula	C21 H21 N3 O5
Title of publication	Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification
Authors of publication	Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	20
Pages of publication	3170
a	13.779 ± 0.0003 Å
b	6.8067 ± 0.0001 Å
c	42.0629 ± 0.0008 Å
α	90°
β	97.22 ± 0.001°
γ	90°
Cell volume	3913.78 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0511
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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