Information card for entry 1502101

Structure parameters

• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• SMILES: O1C([C@]23OC[C@H]4[C@H]([C@@H]2CCC4)[C@@]3(C1=O)C(=O)OC)(C)C.O1C([C@@]23OC[C@@H]4[C@@H]([C@H]2CCC4)[C@]3(C1=O)C(=O)OC)(C)C
• Title of publication: A photocycloaddition/fragmentation approach toward the 3,12-dioxatricyclo[8.2.1.0(6,13)]tridecane skeleton of terpenoid natural products.
• Authors of publication: Hehn, Jörg P; Herdtweck, Eberhardt; Bach, Thorsten
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1892 - 1895
• a: 6.534 ± 0.0003 Å
• b: 8.6083 ± 0.0004 Å
• c: 13.4229 ± 0.0006 Å
• α: 88.568 ± 0.002°
• β: 78.057 ± 0.002°
• γ: 70.267 ± 0.002°
• Cell volume: 694.45 ± 0.06 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0368
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No