Crystallography Open Database

Information card for entry 7009812

Preview

Coordinates	7009812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N2 O2 P
Calculated formula	C18 H17 N2 O2 P
SMILES	P(=O)(CNc1ncccc1O)(c1ccccc1)c1ccccc1
Title of publication	The synthesis and co-ordination chemistry of new functionalised pyridylphosphines derived from Ph2PCH2OH †
Authors of publication	Durran, Sean E.; Smith, Martin B.; Slawin, Alexandra M. Z.; Steed, Jonathan W.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2771
a	8.7043 ± 0.0006 Å
b	10.8681 ± 0.0008 Å
c	17.2011 ± 0.0011 Å
α	90.024 ± 0.004°
β	91.491 ± 0.004°
γ	100.777 ± 0.004°
Cell volume	1597.95 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179802 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/98.	7009812.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009812.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009812.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009812.cif