Crystallography Open Database

Information card for entry 1577361

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Coordinates	1577361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H31 N O4
Calculated formula	C34 H31 N O4
Title of publication	Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.
Authors of publication	Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	18
Pages of publication	9193 - 9203
a	45.626 ± 0.002 Å
b	8.3057 ± 0.0004 Å
c	16.4192 ± 0.0008 Å
α	90°
β	90.364 ± 0.002°
γ	90°
Cell volume	6222 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.2024
Residual factor for significantly intense reflections	0.1541
Weighted residual factors for significantly intense reflections	0.3765
Weighted residual factors for all reflections included in the refinement	0.4009
Goodness-of-fit parameter for all reflections included in the refinement	1.315
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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