Crystallography Open Database

Information card for entry 4335597

Preview

Coordinates	4335597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 O3 P2
Calculated formula	C12 H20 O2.832 P2
Title of publication	Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework
Authors of publication	Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8851 - 8864
a	7.6898 ± 0.0006 Å
b	8.1011 ± 0.0006 Å
c	10.7689 ± 0.0008 Å
α	93.956 ± 0.002°
β	98.939 ± 0.002°
γ	101.833 ± 0.002°
Cell volume	645.09 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.171
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179458 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/55.	4335597.cif
101531	2014-02-14	cif/ Adding structures of 4335597 via cif-deposit CGI script.	4335597.cif