Information card for entry 1506180

Structure parameters

• Common name: 06167a
• Formula: C18 H16 O4
• Calculated formula: C18 H16 O4
• SMILES: O=C1c2occ3CC[C@@H](OC(=O)C)[C@@](c23)(c2c1cccc2)C.O=C1c2occ3CC[C@H](OC(=O)C)[C@](c23)(c2c1cccc2)C
• Title of publication: Studies on the synthesis of furanosteroids. I. Viridin models.
• Authors of publication: Sessions, E. Hampton; Jacobi, Peter A.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 18
• Pages of publication: 4125 - 4128
• a: 7.2601 ± 0.0008 Å
• b: 17.0441 ± 0.0019 Å
• c: 11.6153 ± 0.0013 Å
• α: 90°
• β: 105.116 ± 0.002°
• γ: 90°
• Cell volume: 1387.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No