Crystallography Open Database

Information card for entry 4121117

Preview

Coordinates	4121117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 O3.5 P
Calculated formula	C23 H20 O3.5 P
Title of publication	Silver-Mediated Oxidative C-H/P-H Functionalization: An Efficient Route for the Synthesis of Benzo[b]phosphole Oxides
Authors of publication	Yun-Rong Chen; Wei-Liang Duan
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	16754 - 16757
a	12.6037 ± 0.0011 Å
b	10.2402 ± 0.0009 Å
c	15.9169 ± 0.0014 Å
α	90°
β	106.107 ± 0.002°
γ	90°
Cell volume	1973.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.072
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4121117.cif
107292	2014-03-18	cif/ Adding structures of 4121117 via cif-deposit CGI script.	4121117.cif