Crystallography Open Database

Information card for entry 7153254

Preview

Coordinates	7153254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 N O4
Calculated formula	C10 H13 N O4
SMILES	N1(C(=O)[C@@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H](C3)[C@@H]2C1=O)C.N1(C(=O)[C@H]2[C@H]3[C@@H](O)[C@H](O)[C@H](C3)[C@H]2C1=O)C
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	11.2977 ± 0.0016 Å
b	6.6557 ± 0.0009 Å
c	13.778 ± 0.002 Å
α	90°
β	111.676 ± 0.013°
γ	90°
Cell volume	962.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	7153254.cif
92533	2014-01-12	cif/ Adding structures of 7153254, 7153255, 7153256 via cif-deposit CGI script.	7153254.cif