Crystallography Open Database

Information card for entry 1571566

Preview

Coordinates	1571566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Cl3 N3 O3
Calculated formula	C36 H28 Cl3 N3 O3
Title of publication	Organocatalytic diastereo- and atropo-selective construction of eight-membered bridged (hetero)biaryls <i>via</i> asymmetric intramolecular [3 + 2] cycloaddition.
Authors of publication	Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping; Wang, Baomin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	23
Pages of publication	8880 - 8887
a	10.2162 ± 0.0003 Å
b	16.7001 ± 0.0004 Å
c	19.1032 ± 0.0005 Å
α	90°
β	105.024 ± 0.001°
γ	90°
Cell volume	3147.82 ± 0.15 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292918 (current)	2024-07-05	cif/ Updating files of 1571565, 1571566 Original log message: Adding full bibliography for 1571565--1571566.cif.	1571566.cif
291756	2024-05-08	cif/ Adding structures of 1571565, 1571566 via cif-deposit CGI script.	1571566.cif