Information card for entry 2228970

Structure parameters

• Chemical name: Bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) carbonate
• Formula: C21 H22 O5
• Calculated formula: C21 H22 O5
• SMILES: O=C(Oc1cccc2c1OC(C2)(C)C)Oc1cccc2c1OC(C2)(C)C
• Title of publication: Bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) carbonate
• Authors of publication: Yang, Lin-Tao; Luo, Xian-Fu; Hu, Ai-Xi; Wang, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o338
• a: 16.6409 ± 0.0006 Å
• b: 23.2581 ± 0.0009 Å
• c: 14.5045 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5613.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes