Crystallography Open Database

Information card for entry 1502104

Preview

Coordinates	1502104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H29.5 N1.5 O3.5 P
Calculated formula	C25.5 H29.5 N1.5 O3.5 P
Title of publication	Chiral magnesium BINOL phosphate-catalyzed phosphination of imines: access to enantioenriched α-amino phosphine oxides.
Authors of publication	Ingle, Gajendrasingh K.; Liang, Yuxue; Mormino, Michael G.; Li, Guilong; Fronczek, Frank R.; Antilla, Jon C.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2054 - 2057
a	10.7654 ± 0.0002 Å
b	19.089 ± 0.0003 Å
c	23.5235 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4834.1 ± 0.13 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1502104.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502104.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502104.cif
35426	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502104 via cif-deposit CGI script.	1502104.cif