Information card for entry 7152819

Structure parameters

• Formula: C11 H14 N2 O4
• Calculated formula: C11 H14 N2 O4
• SMILES: O=N(=O)C(C)(C)C(N(=O)=O)Cc1ccccc1
• Title of publication: Reactions of nitric oxide and nitrogen dioxide with coenzyme Q: involvement of the isoprenic chain.
• Authors of publication: Astolfi, Paola; Charles, Laurence; Gigmes, Didier; Greci, Lucedio; Rizzoli, Corrado; Sorana, Federico; Stipa, Pierluigi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1399 - 1406
• a: 11.0598 ± 0.0008 Å
• b: 9.6504 ± 0.0006 Å
• c: 12.3144 ± 0.001 Å
• α: 90°
• β: 112.315 ± 0.004°
• γ: 90°
• Cell volume: 1215.9 ± 0.16 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No