Crystallography Open Database

Information card for entry 4033446

Preview

Coordinates	4033446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H18 F2 O2
Calculated formula	C30 H18 F2 O2
Title of publication	Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.
Authors of publication	Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	2256 - 2262
a	15.535 ± 0.003 Å
b	7.9072 ± 0.0014 Å
c	17.8 ± 0.003 Å
α	90°
β	95.106 ± 0.003°
γ	90°
Cell volume	2177.8 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
227530 (current)	2019-11-12	cif/ Updating files of 4033434, 4033435, 4033436, 4033437, 4033438, 4033439, 4033440, 4033441, 4033442, 4033443, 4033444, 4033445, 4033446 Original log message: Adding full bibliography for 4033434--4033446.cif.	4033446.cif
205678	2018-01-26	cif/ Adding structures of 4033446 via cif-deposit CGI script.	4033446.cif