Information card for entry 2007657

Structure parameters

• Common name: 4-(p-hydroxyphenyl)-2,2,4-trimethylchroman
• Chemical name: 4-(2,2,4-trimethylchroman-4-yl)phenol
• Formula: C18 H20 O2
• Calculated formula: C18 H20 O2
• SMILES: O1C(CC(c2ccccc12)(c1ccc(cc1)O)C)(C)C
• Title of publication: `Guest-Free' Dianin's Compound
• Authors of publication: Imashiro, Fumio; Yoshimura, Motohide; Fujiwara, Takaji
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1357 - 1360
• a: 26.965 ± 0.006 Å
• b: 26.965 ± 0.006 Å
• c: 10.933 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6884 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No