Crystallography Open Database

Information card for entry 1502619

Preview

Coordinates	1502619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 N O3 P
Calculated formula	C15 H22 N O3 P
SMILES	[P@@](=O)(N1[C@H](C(OC1=O)(C)C)C(C)C)(c1ccccc1)C
Title of publication	Enantioselective preparation of P-chiral phosphine oxides.
Authors of publication	Adams, Harry; Collins, Rebecca C.; Jones, Simon; Warner, Christopher J. A.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	24
Pages of publication	6576 - 6579
a	9.4722 ± 0.0002 Å
b	10.0791 ± 0.0002 Å
c	16.3227 ± 0.0005 Å
α	90°
β	92.756 ± 0.002°
γ	90°
Cell volume	1556.55 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502619.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502619.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502619.cif
35904	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502619 via cif-deposit CGI script.	1502619.cif