Crystallography Open Database

Information card for entry 4135426

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Coordinates	4135426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H23 N O
Calculated formula	C36 H23 N O
Title of publication	Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes
Authors of publication	Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	7.6626 ± 0.0003 Å
b	15.2264 ± 0.0005 Å
c	21.4966 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2508.09 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	172.99 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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