Crystallography Open Database

Information card for entry 7024979

Preview

Coordinates	7024979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H39 N2 P
Calculated formula	C31 H39 N2 P
SMILES	P(c1n(c2c3CCc4ccc(CCc(c2)cc3)cc4)ccn1)(C1CCCCC1)C1CCCCC1
Title of publication	Planar-chiral imidazole-based phosphine ligands derived from [2.2]paracyclophane
Authors of publication	Seacome, Richard J.; Coles, Martyn P.; Glover, Jean E.; Hitchcock, Peter B.; Rowlands, Gareth J.
Journal of publication	Dalton Transactions
Year of publication	2010
Journal volume	39
Journal issue	15
Pages of publication	3687
a	10.7792 ± 0.0003 Å
b	15.7625 ± 0.0008 Å
c	15.3052 ± 0.0007 Å
α	90°
β	97.193 ± 0.003°
γ	90°
Cell volume	2580 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1847
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation probe	x-ray
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
179954 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/49.	7024979.cif
92776	2014-01-12	cif/ Adding structures of 7024978, 7024979, 7024980, 7024981 via cif-deposit CGI script.	7024979.cif