Information card for entry 7153256

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 ų
• 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 Fobs: No