Crystallography Open Database

Information card for entry 7237024

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Coordinates	7237024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H43 Cl2 N O4 S
Calculated formula	C48 H41 Cl2 N O4 S
Title of publication	Non-invasive fluorescence switch in polymer films based on spiropyran-photoacid modified TPE
Authors of publication	Yu, Qi; Su, Xing; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Liu, Yifei; Zhang, Sean Xiao-An
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	8
Pages of publication	2113
a	11.143 ± 0.002 Å
b	22.245 ± 0.004 Å
c	19.704 ± 0.006 Å
α	90°
β	121.22 ± 0.02°
γ	90°
Cell volume	4176.8 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0848
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1863
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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