Information card for entry 2006875

Structure parameters

• Chemical name: 7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane
• Formula: C12 H14 N2 O2
• Calculated formula: C12 H14 N2 O2
• Title of publication: 7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: IUC9700032
• a: 10.799 ± 0.0016 Å
• b: 12.6741 ± 0.0012 Å
• c: 16.3797 ± 0.0013 Å
• α: 90°
• β: 91.303 ± 0.01°
• γ: 90°
• Cell volume: 2241.3 ± 0.4 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: 0.1345
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.1264
• Weighted residual factors for significantly intense reflections: 0.1007
• Goodness-of-fit parameter for all reflections: 0.818
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No