Crystallography Open Database

Information card for entry 4514206

Preview

Coordinates	4514206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.25 H24.25 Cl0.5 O2
Calculated formula	C20.25 H24.25 Cl0.5 O2
Title of publication	Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes
Authors of publication	Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	10
Pages of publication	7008
a	38.935 ± 0.009 Å
b	8.5678 ± 0.0006 Å
c	28.446 ± 0.007 Å
α	90°
β	133.9 ± 0.04°
γ	90°
Cell volume	6837 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1815
Residual factor for significantly intense reflections	0.0915
Weighted residual factors for significantly intense reflections	0.2373
Weighted residual factors for all reflections included in the refinement	0.2838
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202647 (current)	2017-11-07	cif/ Updating files of 4514205, 4514206 Original log message: Adding full bibliography for 4514205--4514206.cif.	4514206.cif
201114	2017-09-22	cif/ Adding structures of 4514206 via cif-deposit CGI script.	4514206.cif