Crystallography Open Database

Information card for entry 1570133

Preview

Coordinates	1570133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 N O4
Calculated formula	C29 H23 N O4
Title of publication	Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.
Authors of publication	Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	42
Pages of publication	11850 - 11857
a	20.38188 ± 0.00012 Å
b	10.2892 ± 0.00005 Å
c	21.05443 ± 0.00011 Å
α	90°
β	90°
γ	90°
Cell volume	4415.39 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
287302 (current)	2023-11-06	cif/ Updating files of 1570130, 1570131, 1570132, 1570133 Original log message: Adding full bibliography for 1570130--1570133.cif.	1570133.cif
286989	2023-10-17	cif/ Adding structures of 1570130, 1570131, 1570132, 1570133 via cif-deposit CGI script.	1570133.cif