Crystallography Open Database

Information card for entry 1507823

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Structure parameters

Formula	C36 H34 S9
Calculated formula	C36 H34 S9
SMILES	s1c(cc2c1sc1sc3sc4sc5sc6sc7sc8sc(cc8c7c6c5c4c3c21)CCCCCCCC)CCCCCCCC
Title of publication	Band gap of carbon-sulfur [N]helicenes.
Authors of publication	Miyasaka, Makoto; Pink, Maren; Olankitwanit, Arnon; Rajca, Suchada; Rajca, Andrzej
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	12
Pages of publication	3076 - 3079
a	11.315 Å
b	18.86 Å
c	20.017 Å
α	118.11°
β	94.13°
γ	90°
Cell volume	3755.2 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1463
Residual factor for significantly intense reflections	0.1158
Weighted residual factors for significantly intense reflections	0.3485
Weighted residual factors for all reflections included in the refinement	0.3843
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.43321 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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