Information card for entry 2100566

Structure parameters

• Formula: C4 H10 O
• Calculated formula: C24 H60 O6
• SMILES: CC(O)(C)C
• Title of publication: Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
• Authors of publication: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: 599 - 605
• a: 6.2027 Å
• b: 9.1431 Å
• c: 14.7554 Å
• α: 86.373°
• β: 78.776°
• γ: 76.363°
• Cell volume: 797.53 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No