Information card for entry 2232559

Structure parameters

• Common name: 4,6-Di-<i>tert</i>-butyl-2,8-dimethoxydibenzo[<i>b</i>,<i>d</i>]furan
• Chemical name: 6,10-di-<i>tert</i>-butyl-4,12-dimethoxy-8-oxatricyclo[7.4.0.0^2,7^]trideca- 1(9),2(7),3,5,10,12-hexaene
• Formula: C22 H28 O3
• Calculated formula: C22 H28 O3
• SMILES: o1c2c(c3cc(OC)cc(c13)C(C)(C)C)cc(OC)cc2C(C)(C)C
• Title of publication: 4,6-Di-<i>tert</i>-butyl-2,8-dimethoxydibenzo[<i>b</i>,<i>d</i>]furan
• Authors of publication: Chung, Dayeon; Otgonbaatar, Enkhzul; Son, Seok Hwan; Chung, Minchul; Kwak, Chee-Hun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3356
• a: 15.631 ± 0.003 Å
• b: 8.2487 ± 0.0014 Å
• c: 16 ± 0.003 Å
• α: 90°
• β: 105.438 ± 0.005°
• γ: 90°
• Cell volume: 1988.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes