Crystallography Open Database

Information card for entry 1503876

Preview

Coordinates	1503876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 B2 O4 P2
Calculated formula	C24 H40 B2 O4 P2
SMILES	[P]1(CCOCCOCCOCCOCC[P](CC1)(c1ccccc1)[BH3])(c1ccccc1)[BH3]
Title of publication	Practical synthesis of P-stereogenic diphosphacrowns.
Authors of publication	Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2241 - 2244
a	10.0669 ± 0.0014 Å
b	25.664 ± 0.004 Å
c	10.9208 ± 0.0013 Å
α	90°
β	111.079 ± 0.006°
γ	90°
Cell volume	2632.7 ± 0.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0899
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	0.67
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1503876.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503876.cif
39164	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503876 via cif-deposit CGI script.	1503876.cif