Information card for entry 2006582

Structure parameters

• Chemical name: 1-Acetamidoadamantane
• Formula: C12 H19 N O
• Calculated formula: C12 H19 N O
• SMILES: N(C12CC3CC(CC(C1)C3)C2)C(=O)C
• Title of publication: 1-Acetamidoadamantane
• Authors of publication: Pröhl, Hans-Heinrich; Blaschette, Armand; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1434 - 1436
• a: 24.312 ± 0.005 Å
• b: 9.464 ± 0.002 Å
• c: 9.454 ± 0.003 Å
• α: 90°
• β: 90.06 ± 0.02°
• γ: 90°
• Cell volume: 2175.3 ± 0.9 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.0986
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No