Information card for entry 2243437

Structure parameters

• Common name: phenol hemihydrate
• Formula: C12 H14 O3
• Calculated formula: C12 H14 O3
• Title of publication: Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion
• Authors of publication: Fortes, A. Dominic
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1062 - 1069
• a: 12.9747 Å
• b: 10.5449 Å
• c: 7.48 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1023.39 ų
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No