Information card for entry 4510489

Structure parameters

• Formula: C10 H14 O
• Calculated formula: C10 H14 O
• SMILES: C1(=O)C2CC3CC1CC(C3)C2
• Title of publication: Polymorphism of 2-Adamantanone
• Authors of publication: Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2626
• a: 6.8884 ± 0.0018 Å
• b: 10.83 ± 0.003 Å
• c: 10.658 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 795.1 ± 0.4 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No