Crystallography Open Database

Information card for entry 7153256

Preview

Coordinates	7153256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 N2 O6
Calculated formula	C15 H14 N2 O6
SMILES	N1([C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@@H]([C@H]2C3)C1=O)C(=O)O)c1cc(N(=O)=O)ccc1.N1([C@H]2[C@H](O)[C@H]3[C@H]([C@H]([C@@H]2C3)C1=O)C(=O)O)c1cc(N(=O)=O)ccc1
Title of publication	Ethanolysis of N-substituted norbornane epoxyimides: discovery of diverse pathways depending on substituent's character.
Authors of publication	Petrova, Tetyana; Tarabara, Igor; Palchikov, Vitaliy; Kasyan, Liliya; Kosenkov, Dmytro; Okovytyy, Sergiy; Gorb, Leonid; Shishkina, Svetlana; Shishkin, Oleg; Leszczynski, Jerzy
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	9
Pages of publication	2142 - 2157
a	7.2192 ± 0.0013 Å
b	9.064 ± 0.002 Å
c	11.0633 ± 0.0016 Å
α	73.995 ± 0.018°
β	80.033 ± 0.014°
γ	73.38 ± 0.02°
Cell volume	663.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0406
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
180318 (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 7/15/32.	7153256.cif
92533	2014-01-12	cif/ Adding structures of 7153254, 7153255, 7153256 via cif-deposit CGI script.	7153256.cif