Crystallography Open Database

Information card for entry 4063422

Preview

Coordinates	4063422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H28 B F15 N O6 P W
Calculated formula	C37 H28 B F15 N O6 P W
Title of publication	Serendipitous Discovery of a Phosphirene‒Phosphindole Rearrangement
Authors of publication	Panichakul, Duanghathai; Mathey, François
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	2
Pages of publication	348 - 351
a	10.806 ± 0.0004 Å
b	13.2637 ± 0.0005 Å
c	15.0392 ± 0.0005 Å
α	69.386 ± 0.002°
β	87.03 ± 0.002°
γ	82.802 ± 0.002°
Cell volume	2001.55 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
178529 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34.	4063422.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063422.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063422.cif
19023	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4063422 via cif-deposit CGI script.	4063422.cif