Crystallography Open Database

Information card for entry 4033445

Preview

Coordinates	4033445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 F O
Calculated formula	C15 H9 F O
SMILES	C1(=O)C=C(c2ccccc12)c1ccc(cc1)F
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	3.8335 ± 0.0002 Å
b	10.3188 ± 0.0004 Å
c	26.6901 ± 0.0011 Å
α	90°
β	93.597 ± 0.002°
γ	90°
Cell volume	1053.7 ± 0.08 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4033445.cif
205677	2018-01-26	cif/ Adding structures of 4033445 via cif-deposit CGI script.	4033445.cif