Information card for entry 2006858

Structure parameters

• Chemical name: Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol
• Formula: C22 H30 O4
• Calculated formula: C22 H30 O4
• SMILES: O(c1ccc(cc1OC)C[C@@H]([C@@H](Cc1cc(OC)c(OC)cc1)C)C)C
• Title of publication: Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol
• Authors of publication: Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1857 - 1859
• a: 6.274 ± 0.001 Å
• b: 10.571 ± 0.001 Å
• c: 15.426 ± 0.001 Å
• α: 86.49 ± 0.01°
• β: 80.78 ± 0.01°
• γ: 87.72 ± 0.01°
• Cell volume: 1007.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1263
• Weighted residual factors for significantly intense reflections: 0.1158
• Goodness-of-fit parameter for all reflections: 0.949
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No