Information card for entry 7052233

Structure parameters

• Common name: 2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid buthanol solvate
• Chemical name: 2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid buthanol solvate
• Formula: C38 H40 O9
• Calculated formula: C38 H40 O9
• 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: 10.929 ± 0.001 Å
• b: 11.708 ± 0.001 Å
• c: 15.385 ± 0.002 Å
• α: 101.68 ± 0.01°
• β: 106.69 ± 0.01°
• γ: 96.91 ± 0.01°
• Cell volume: 1812.9 ± 0.4 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: 0.1054
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No