Information card for entry 7153254

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 ų
• 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 Fobs: No