Crystallography Open Database

Information card for entry 7018166

Preview

Coordinates	7018166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 P S
Calculated formula	C30 H27 P S0.995
Title of publication	Facile synthesis of luminescent benzo-1,2-dihydrophosphinines from a phosphaalkene.
Authors of publication	Pavelka, Laura C.; Baines, Kim M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	11
Pages of publication	3294 - 3301
a	11.307 ± 0.002 Å
b	11.822 ± 0.002 Å
c	20.33 ± 0.004 Å
α	87.82 ± 0.03°
β	76.16 ± 0.03°
γ	62.43 ± 0.03°
Cell volume	2330.7 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0756
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
179885 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81.	7018166.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018166.cif
37671	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018166, 7018167, 7018168 via cif-deposit CGI script.	7018166.cif