Crystallography Open Database

Information card for entry 4515439

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Structure parameters

Formula	C31 H34 Cl2 O6
Calculated formula	C31 H34 Cl2 O6
SMILES	c1(cc(c(c(c1)OC)Cc1ccc(c2ccccc12)Cc1c(cc(cc1OC)OC)OC)OC)OC.C(Cl)Cl
Title of publication	Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.
Authors of publication	Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	1
Pages of publication	998 - 1003
a	14.1634 ± 0.0015 Å
b	13.0871 ± 0.0013 Å
c	17.0084 ± 0.0018 Å
α	90°
β	109.625 ± 0.004°
γ	90°
Cell volume	2969.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.162
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2337
Weighted residual factors for all reflections included in the refinement	0.3013
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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