Crystallography Open Database

Information card for entry 4515445

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Structure parameters

Formula	C30 H36 O8
Calculated formula	C30 H36 O8
SMILES	O(c1c(c(OC)cc(OC)c1)Cc1c2c(c(cc1)Cc1c(OC)cc(OC)cc1OC)cccc2)C.O.O
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	14.4791 ± 0.0017 Å
b	13.0125 ± 0.0013 Å
c	16.8365 ± 0.0017 Å
α	90°
β	109.243 ± 0.004°
γ	90°
Cell volume	2994.9 ± 0.6 Å³
Cell temperature	196 ± 2 K
Ambient diffraction temperature	196.4 K
Number of distinct elements	3
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	0.1009
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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