Information card for entry 2005896

Structure parameters

• Formula: C25 H28 O11
• Calculated formula: C25 H28 O11
• SMILES: O1C(=O)C(=C(C1(C(=O)OC)Cc1c(OCOC)cc(OC)cc1)c1c(OCOC)cc(OC)cc1)O
• Title of publication: Methyl 4-Hydroxy-3-[4-methoxy-2-(methoxymethyleneoxy)phenyl]-2-{[4-methoxy-2-(methoxymethyleneoxy)phenyl]methyl}-5-oxo-2,5-dihydrofuran-2-carboxylate
• Authors of publication: Boehlow, T. R.; Rath, N. P.; Spilling, C. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 92 - 95
• a: 14.6057 ± 0.0002 Å
• b: 9.237 ± 0.0001 Å
• c: 18.6333 ± 0.0003 Å
• α: 90°
• β: 91.79 ± 0.001°
• γ: 90°
• Cell volume: 2512.64 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections: 0.25
• Weighted residual factors for significantly intense reflections: 0.2142
• Goodness-of-fit parameter for all reflections: 1.095
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No