Information card for entry 2214591

Structure parameters

• Chemical name: Dimethyl 3,3-dimethoxy-4,4'-methylenedi-2-naphthoate
• Formula: C27 H24 O6
• Calculated formula: C27 H24 O6
• SMILES: O(c1c(cc2ccccc2c1Cc1c2ccccc2cc(c1OC)C(=O)OC)C(=O)OC)C
• Title of publication: Dimethyl 3,3-dimethoxy-4,4'-methylenedi-2-naphthoate
• Authors of publication: Rui He; En Gao; Shao-Jin Gu; Da-Bin Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3508 - o3508
• a: 12.9871 ± 0.0004 Å
• b: 20.0999 ± 0.0005 Å
• c: 8.7466 ± 0.0003 Å
• α: 90°
• β: 106.798 ± 0.001°
• γ: 90°
• Cell volume: 2185.78 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes