Information card for entry 7052232

Structure parameters

• Common name: 2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid methanol solvate
• Chemical name: 2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid methanol solvate
• Formula: C35 H34 O9
• Calculated formula: C35 H34 O9
• SMILES: OC(=O)C(=C\c1cc(c(cc1)OCc1ccccc1)OC)\C(=C/c1cc(c(cc1)OCc1ccccc1)OC)C(=O)O.OC
• Title of publication: Structural and conformational study of two solvates of a fulgenic acid derivative
• Authors of publication: Giannellini, Valerio; Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 647
• a: 10.6859 ± 0.0004 Å
• b: 10.7325 ± 0.0004 Å
• c: 14.5858 ± 0.0005 Å
• α: 73.297 ± 0.003°
• β: 74.559 ± 0.003°
• γ: 77.321 ± 0.003°
• Cell volume: 1525.75 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No