Crystallography Open Database

Information card for entry 7134992

Preview

Coordinates	7134992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H21 Br Cl O4
Calculated formula	C28.5 H21 Br Cl O4
Title of publication	Remote asymmetric conjugate addition of naphthoquinone methides: constructing adjacent tertiary-quaternary carbon stereocenters
Authors of publication	Zhai, Jing-Jing; Lou, Shao-Jie; Zhang, Xiaoxiao; Lan, Qiu-Yi; Jing, Cheng-Cheng; Mao, Yang-Jie; Wang, Yifeng; Chu, Mingming; Xu, Dan-Qian
Journal of publication	Chemical Communications
Year of publication	2025
a	9.0354 ± 0.0005 Å
b	11.1067 ± 0.0006 Å
c	13.6619 ± 0.0008 Å
α	106.141 ± 0.002°
β	96.303 ± 0.002°
γ	107.287 ± 0.002°
Cell volume	1229.51 ± 0.12 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
302171 (current)	2025-09-18	cif/ Adding structures of 7134992, 7134993, 7134994 via cif-deposit CGI script.	7134992.cif