Information card for entry 2016950

Structure parameters

• Common name: 1,c-3-diphenyltetran-r-1-ol
• Chemical name: 1,c-3-diphenyl-1,2,3,4-tetrahydro-r-1-naphthol
• Formula: C22 H20 O
• Calculated formula: C22 H20 O
• SMILES: O[C@@]1(C[C@@H](Cc2c1cccc2)c1ccccc1)c1ccccc1.O[C@]1(C[C@H](Cc2c1cccc2)c1ccccc1)c1ccccc1
• Title of publication: Tetrameric aggregate of 1,<i>c</i>-3-diphenyltetran-<i>r</i>-1-ol <i>via</i> an <i>R</i>~4~^4^(8) homodromic ring
• Authors of publication: Vega, Daniel R.; Mufato, Jorge D.; Aguirre, José M.; Drago, Eleonora V.; Lantaño, Beatríz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o35 - o38
• a: 16.546 ± 0.003 Å
• b: 13.124 ± 0.003 Å
• c: 31.942 ± 0.006 Å
• α: 90°
• β: 100.62 ± 0.03°
• γ: 90°
• Cell volume: 6817 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3549
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes