Information card for entry 4035334

Structure parameters

• Formula: C24 H24 O8
• Calculated formula: C24 H24 O8
• SMILES: C12(C[C@@H]([C@H]([C@@]31C(=O)C(=CC3=O)OC(C)C)OCOC)O)Oc1cccc3cccc(c13)O2
• Title of publication: Total Synthesis of Spiromamakone A and Structure Revision of Spiropreussione A.
• Authors of publication: Tsukamoto, Hirokazu; Hanada, Shogo; Nomura, Yumi; Doi, Takayuki
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 16
• Pages of publication: 9430 - 9441
• a: 10.8651 ± 0.0007 Å
• b: 13.3406 ± 0.0009 Å
• c: 14.6164 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2118.6 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No