Information card for entry 8000062

Structure parameters

• Formula: C29 H22 O5
• Calculated formula: C29 H22 O5
• SMILES: O1c2c(cccc2C(c2cccc(c12)c1ccc(O)c(c1)C=O)(C)C)c1ccc(O)c(c1)C=O
• Title of publication: Synthesis of a Cofacial Schiff-Base Dimanganese(III) Complex for Asymmetric Catalytic Oxidation of Sulfides
• Authors of publication: Masakazu Hirotsu; Naoki Ohno; Takashi Nakajima; Keiji Ueno
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 848
• a: 8.668 ± 0.002 Å
• b: 19.732 ± 0.002 Å
• c: 13.264 ± 0.002 Å
• α: 90°
• β: 91.68 ± 0.02°
• γ: 90°
• Cell volume: 2267.6 ± 0.7 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 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: 0.2169
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No