Crystallography Open Database

Information card for entry 1503634

Preview

Coordinates	1503634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N O10 P
Calculated formula	C15 H16 N O10 P
SMILES	P(=O)(OC)(OC)C(=C(C(=O)c1ccc(N(=O)=O)cc1)\C(=O)OC)\C(=O)OC
Title of publication	Novel Three-Component Route to Diastereoselective Synthesis of Trisubstituted Vinylphosphonates Using Phosphites, Acetylenic Esters, and Aroyl Chlorides
Authors of publication	Rostamnia, Sadegh; Alizadeh, Abdolali; Zhu, Long-Guan
Journal of publication	Journal of Combinatorial Chemistry
Year of publication	2009
Journal volume	11
Journal issue	1
Pages of publication	143
a	9.1421 ± 0.001 Å
b	20.355 ± 0.002 Å
c	9.6776 ± 0.001 Å
α	90°
β	90.67 ± 0.001°
γ	90°
Cell volume	1800.8 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	1503634.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503634.cif
38822	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503634 via cif-deposit CGI script.	1503634.cif