Information card for entry 4102644

Structure parameters

• Formula: C10 H15 N O2
• Calculated formula: C10 H15 N O2
• SMILES: O1N(=O)=C2C(=CC1(C)C)CCCC2
• Title of publication: Tandem 6π-Electrocyclization and Cycloaddition of Nitrodienes to Yield Multicyclic Nitroso Acetals
• Authors of publication: Gardner S. Creech; Ohyun Kwon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8876 - 8877
• a: 6.8952 ± 0.001 Å
• b: 8.7695 ± 0.0013 Å
• c: 8.9826 ± 0.0013 Å
• α: 69.553 ± 0.001°
• β: 72.897 ± 0.001°
• γ: 80.674 ± 0.002°
• Cell volume: 485.36 ± 0.12 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: 0.0423
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No