Information card for entry 7150077

Structure parameters

• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: C(C1CC1)(C1CC1)OC(=O)c1ccc(cc1)N(=O)=O
• Title of publication: Determining the sigma-donor ability of the cyclopropane C-C bond.
• Authors of publication: Fifer, Nathan L.; White, Jonathan M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 1776 - 1780
• a: 6.9505 ± 0.0008 Å
• b: 28.848 ± 0.003 Å
• c: 7.3706 ± 0.0008 Å
• α: 90°
• β: 116.961 ± 0.002°
• γ: 90°
• Cell volume: 1317.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No