Crystallography Open Database

Information card for entry 1576898

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Coordinates	1576898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H72 N2 O8
Calculated formula	C85 H72 N2 O8
Title of publication	Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.
Authors of publication	Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	11
Pages of publication	5745 - 5757
a	15.5235 ± 0.0015 Å
b	12.3965 ± 0.001 Å
c	20.4377 ± 0.0015 Å
α	90°
β	102.146 ± 0.006°
γ	90°
Cell volume	3844.9 ± 0.6 Å³
Cell temperature	300.15 K
Ambient diffraction temperature	300.15 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.1004
Weighted residual factors for significantly intense reflections	0.195
Weighted residual factors for all reflections included in the refinement	0.2042
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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