Crystallography Open Database

Information card for entry 1575583

Preview

Coordinates	1575583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 O
Calculated formula	C27 H20 O
Title of publication	Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.
Authors of publication	Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	39
Pages of publication	18255 - 18262
a	33.532 ± 0.004 Å
b	9.7242 ± 0.0012 Å
c	23.877 ± 0.002 Å
α	90°
β	91.794 ± 0.004°
γ	90°
Cell volume	7781.8 ± 1.5 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
303643 (current)	2025-11-29	cif/ Updating files of 1575583, 1575584, 1575585 Original log message: Adding full bibliography for 1575583--1575585.cif.	1575583.cif
301960	2025-09-02	cif/ Adding structures of 1575583, 1575584, 1575585 via cif-deposit CGI script.	1575583.cif