Information card for entry 7154871

Structure parameters

• Chemical name: (rac)-(5R,6R,7S,8R)-5,8-Epoxynaphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-7-(dimethoxyphosphoryl) -5-(3,4,5-trimethoxyphenyl)-, methyl ester
• Formula: C24 H27 O11 P
• Calculated formula: C24 H27 O11 P
• Title of publication: Total synthesis of (±)-epithuriferic acid methyl ester via Diels-Alder reaction.
• Authors of publication: Koprowski, Marek; Bałczewski, Piotr; Owsianik, Krzysztof; Różycka-Sokołowska, Ewa; Marciniak, Bernard
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1822 - 1830
• a: 10.9953 ± 0.0004 Å
• b: 27.3594 ± 0.0008 Å
• c: 9.1869 ± 0.0004 Å
• α: 90°
• β: 111.321 ± 0.004°
• γ: 90°
• Cell volume: 2574.5 ± 0.18 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No