Crystallography Open Database

Information card for entry 4135281

Preview

Coordinates	4135281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 N2 O5
Calculated formula	C31 H26 N2 O5
Title of publication	Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.
Authors of publication	Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	42
Pages of publication	18266 - 18276
a	7.7185 ± 0.0002 Å
b	19.1801 ± 0.0006 Å
c	8.914 ± 0.0003 Å
α	90°
β	97.217 ± 0.001°
γ	90°
Cell volume	1309.19 ± 0.07 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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