Information card for entry 4024749

Structure parameters

• Formula: C24 H30 O6
• Calculated formula: C24 H30 O6
• SMILES: [C@H]1(C[C@H](COCc2ccccc2)O[C@H](c2ccc(cc2)OC)O1)[C@H](C=C)[C@H](CO)O
• Title of publication: (+)-Rimocidin Synthetic Studies: Construction of the C(1-27) Aglycone Skeleton
• Authors of publication: Amos B. Smith; Megan A. Foley; Shuzhi Dong; Alia Orbin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5987 - 6001
• a: 10.8151 ± 0.0012 Å
• b: 7.9505 ± 0.0009 Å
• c: 12.6843 ± 0.0015 Å
• α: 90°
• β: 97.33 ± 0.003°
• γ: 90°
• Cell volume: 1081.8 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No