Crystallography Open Database

Information card for entry 7153059

Preview

Coordinates	7153059.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mattson 1934
Formula	C24 H22 N2 O5
Calculated formula	C24 H22 N2 O5
SMILES	[C@H]1(C[C@@]([C@H](c2ccccc2)N(c2ccccc2)O1)(C(=O)OC)N(=O)=O)c1ccccc1.[C@@H]1(C[C@]([C@@H](c2ccccc2)N(c2ccccc2)O1)(C(=O)OC)N(=O)=O)c1ccccc1
Title of publication	Urea-catalyzed construction of oxazinanes.
Authors of publication	Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	35
Pages of publication	5793 - 5797
a	8.2132 ± 0.0001 Å
b	8.738 ± 0.0001 Å
c	15.5338 ± 0.0003 Å
α	84.567 ± 0.001°
β	79.398 ± 0.001°
γ	67.733 ± 0.001°
Cell volume	1013.69 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
180316 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/30.	7153059.cif
87750	2013-08-27	cif/ Adding structures of 7153058, 7153059, 7153060, 7153061 via cif-deposit CGI script.	7153059.cif