Information card for entry 2225175

Structure parameters

• Chemical name: 2,2,7,7-Tetramethyl-2,3,6,7-tetrahydrobenzofuro[7,6-<i>b</i>]furan
• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• SMILES: c12c3c(ccc1CC(C)(C)O2)CC(C)(C)O3
• Title of publication: 2,2,7,7-Tetramethyl-2,3,6,7-tetrahydrobenzofuro[7,6-<i>b</i>]furan
• Authors of publication: Luo, Xian-Fu; Yang, Lin-Tao; Wang, Yu; Zhang, Jian-Yu; Hu, Ai-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o567
• a: 8.7553 ± 0.0006 Å
• b: 6.0721 ± 0.0004 Å
• c: 23.2082 ± 0.0017 Å
• α: 90°
• β: 92.186 ± 0.001°
• γ: 90°
• Cell volume: 1232.92 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes