Information card for entry 1505951

Structure parameters

• Formula: C24 H19 O8
• Calculated formula: C24 H19 O8
• SMILES: O=C1OCC=CCOC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OCC=CCOC(=O)[C@H]2CC=CC[C@@H]12
• Title of publication: Desymmetrization of cyclic anhydrides using dihydroxy compounds: selective synthesis of macrocyclic tetralactones.
• Authors of publication: Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 1913 - 1916
• a: 13.342 ± 0.003 Å
• b: 9.981 ± 0.003 Å
• c: 16.534 ± 0.004 Å
• α: 90°
• β: 94.778 ± 0.004°
• γ: 90°
• Cell volume: 2194.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.137
• Residual factor for significantly intense reflections: 0.1286
• Weighted residual factors for significantly intense reflections: 0.3586
• Weighted residual factors for all reflections included in the refinement: 0.3634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No