Crystallography Open Database

Information card for entry 4135387

Preview

Coordinates	4135387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H23 N
Calculated formula	C33 H23 N
Title of publication	Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.
Authors of publication	Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	50
Pages of publication	20942 - 20947
a	13.6755 ± 0.0007 Å
b	5.2979 ± 0.0003 Å
c	31.08 ± 0.0014 Å
α	90°
β	92.838 ± 0.005°
γ	90°
Cell volume	2249 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1346
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1787
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260430 (current)	2021-01-04	cif/ Updating files of 4135385, 4135386, 4135387, 4135388 Original log message: Adding full bibliography for 4135385--4135388.cif.	4135387.cif
259474	2020-12-03	cif/ Adding structures of 4135387 via cif-deposit CGI script.	4135387.cif