Information card for entry 8102126

Structure parameters

• Common name: tropinone
• Chemical name: 8-methyl-8-azabicyclo(3.2.1)octan-3-one
• Formula: C8 H13 N O
• Calculated formula: C8 H13 N O
• SMILES: O=C1C[C@@H]2N([C@@H](CC2)C1)C
• Title of publication: Crystal structure of 8-methyl-8-azabicyclo(3.2.1)octan-3-one, C~8~H~13~NO
• Authors of publication: Staples, Richard J.; Qi, Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 225 - 226
• a: 10.38 ± 0.003 Å
• b: 7.1365 ± 0.0019 Å
• c: 20.973 ± 0.006 Å
• α: 90°
• β: 103.887 ± 0.004°
• γ: 90°
• Cell volume: 1508.2 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No