Crystallography Open Database

Information card for entry 1576899

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Coordinates	1576899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H88 N2 O12
Calculated formula	C93 H88 N2 O12
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	17.7269 ± 0.0008 Å
b	22.0508 ± 0.0011 Å
c	20.6123 ± 0.0011 Å
α	90°
β	103.142 ± 0.002°
γ	90°
Cell volume	7846.2 ± 0.7 Å³
Cell temperature	271 K
Ambient diffraction temperature	271 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1753
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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