Crystallography Open Database

Information card for entry 1567156

Preview

Coordinates	1567156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 N O5 S
Calculated formula	C30 H27 N O5 S
Title of publication	NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones
Authors of publication	Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	29
Pages of publication	8576 - 8582
a	9.4559 ± 0.0003 Å
b	16.0249 ± 0.0005 Å
c	16.2168 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2457.33 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0371
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277090 (current)	2022-08-06	cif/ Updating files of 1567156, 1567157 Original log message: Adding full bibliography for 1567156--1567157.cif.	1567156.cif
276159	2022-06-23	cif/ Adding structures of 1567156, 1567157 via cif-deposit CGI script.	1567156.cif