Crystallography Open Database

Information card for entry 4117613

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Coordinates	4117613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H30 Cl2 O
Calculated formula	C43 H30 Cl2 O
Title of publication	Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes
Authors of publication	Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4080 - 4083
a	15.3425 ± 0.0003 Å
b	15.367 ± 0.0003 Å
c	23.8764 ± 0.0004 Å
α	72.5438 ± 0.0007°
β	81.2377 ± 0.0007°
γ	60.1809 ± 0.0008°
Cell volume	4659.02 ± 0.16 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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