Crystallography Open Database

Information card for entry 4032981

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Coordinates	4032981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 F5 N S
Calculated formula	C34 H26 F5 N S
Title of publication	Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.
Authors of publication	Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	20
Pages of publication	11008 - 11020
a	51.849 ± 0.009 Å
b	10.9446 ± 0.0018 Å
c	9.8186 ± 0.0015 Å
α	90°
β	91.817 ± 0.012°
γ	90°
Cell volume	5568.9 ± 1.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1762
Residual factor for significantly intense reflections	0.1
Weighted residual factors for significantly intense reflections	0.263
Weighted residual factors for all reflections included in the refinement	0.3137
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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