Crystallography Open Database

Information card for entry 4037524

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Coordinates	4037524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H47 Cl7 S4
Calculated formula	C67 H47 Cl7 S4
Title of publication	Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules.
Authors of publication	Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	15
Pages of publication	7745 - 7749
a	10.053 ± 0.007 Å
b	17.077 ± 0.014 Å
c	18.207 ± 0.014 Å
α	113.715 ± 0.013°
β	98.367 ± 0.003°
γ	99.656 ± 0.013°
Cell volume	2742 ± 4 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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