Crystallography Open Database

Information card for entry 1573010

Preview

Coordinates	1573010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 N2 O3
Calculated formula	C28 H34 N2 O3
SMILES	O[C@@]([C@@H](Nc1ccc(cc1)C(C)(C)C)C(=O)OC(C)(C)C)(c1ccccc1)c1ncccc1
Title of publication	Visible-light-driven asymmetric aldol reaction of ketones and glycinates <i>via</i> synergistic Lewis acid/photoredox catalysis.
Authors of publication	Tan, Jiuqi; Yang, Longqing; Su, Hanyu; Yang, Yuntian; Zhong, Ziwei; Feng, Xiaoming; Liu, Xiaohua
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	39
Pages of publication	16050 - 16058
a	5.994 ± 0.0001 Å
b	16.4455 ± 0.0004 Å
c	24.7082 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2435.59 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0777
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1488
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
295753 (current)	2024-11-04	cif/ Adding structures of 1573010 via cif-deposit CGI script.	1573010.cif