Information card for entry 2006643

Structure parameters

• Formula: C12 H11 N3 O3
• Calculated formula: C12 H11 N3 O3
• SMILES: c1ccccc1COC(=O)N1C(=O)C(=N#N)CC1
• Title of publication: 3-Diazo-1-benzyloxycarbonylpyrrolidin-2-one
• Authors of publication: Lydon, Kevin M.; McKee, Vickie; McKervey, M. Anthony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1675 - 1676
• a: 15.309 ± 0.0007 Å
• b: 10.553 ± 0.0011 Å
• c: 6.973 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1126.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for all reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.0686
• Goodness-of-fit parameter for all reflections: 1.121
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No