Crystallography Open Database

Information card for entry 1569694

Preview

Coordinates	1569694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 N4 O3
Calculated formula	C36 H34 N4 O3
Title of publication	Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.
Authors of publication	Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	35
Pages of publication	9496 - 9502
a	11.977 ± 0.005 Å
b	11.977 Å
c	42.045 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	6031 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
286719 (current)	2023-10-06	cif/ Updating files of 1569692, 1569693, 1569694 Original log message: Adding full bibliography for 1569692--1569694.cif.	1569694.cif
285794	2023-08-17	cif/ Adding structures of 1569692, 1569693, 1569694 via cif-deposit CGI script.	1569694.cif