Crystallography Open Database

Information card for entry 4032979

Preview

Coordinates	4032979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 F5 N S
Calculated formula	C26 H18 F5 N S
SMILES	S(F)(F)(F)(F)(F)c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
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	25.9225 ± 0.0019 Å
b	8.1786 ± 0.0006 Å
c	22.3161 ± 0.0017 Å
α	90°
β	112.605 ± 0.001°
γ	90°
Cell volume	4367.8 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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