Information card for entry 4101953

Structure parameters

• Formula: C10 H14 O
• Calculated formula: C10 H14 O
• Title of publication: Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy
• Authors of publication: Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2564 - 2566
• a: 21.9236 Å
• b: 21.9236 Å
• c: 10.0361 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4177.53 ų
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No