Crystallography Open Database

Information card for entry 1567513

Preview

Coordinates	1567513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11
Calculated formula	C13 H11
Title of publication	Unified Synthesis of Multiply Arylated Alkanes by Catalytic Deoxygenative Transformation of Diarylketones
Authors of publication	Kurosawa, Miki B.; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro
Journal of publication	Chemical Science
Year of publication	2022
a	17.661 ± 0.003 Å
b	5.8999 ± 0.0012 Å
c	17.598 ± 0.003 Å
α	90°
β	91.211 ± 0.007°
γ	90°
Cell volume	1833.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	2
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	0.0654
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287927 (current)	2023-12-01	cif/ Corrected the misspelt variants of the 'publ_section_references' data name in entries 1500046, 1567513, 1567514, 1567515, 4319983, 7008124, 7239987, 8102447.	1567513.cif
277346	2022-08-23	cif/ Adding structures of 1567513, 1567514, 1567515 via cif-deposit CGI script.	1567513.cif