Information card for entry 4101969

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: 24.2387 Å
• b: 4.6525 Å
• c: 18.1098 Å
• α: 90°
• β: 115.793°
• γ: 90°
• Cell volume: 1838.79 ų
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No