Crystallography Open Database

Information card for entry 7154318

Preview

Coordinates	7154318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 F6 N2 O2
Calculated formula	C27 H24 F6 N2 O2
SMILES	FC1(F)C(=C(C(F)(F)C1(F)F)c1c2cc(OC)ccc2n(c1C)C)c1c2c(n(c1C)C)ccc(OC)c2
Title of publication	A prominent bathochromic shift effect of indole-containing diarylethene derivatives.
Authors of publication	Cheng, Hong-Bo; Huang, Yao-Dong; Zhao, Lina; Li, Xu; Wu, Hai-Chen
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	11
Pages of publication	3470 - 3475
a	12.04 ± 0.004 Å
b	11.834 ± 0.003 Å
c	17.361 ± 0.005 Å
α	90°
β	105.585 ± 0.005°
γ	90°
Cell volume	2382.7 ± 1.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
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	0.0468
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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