Information card for entry 1511919

Structure parameters

• Common name: hydrindane
• Formula: C16 H24 O4
• Calculated formula: C16 H24 O4
• SMILES: CO[C@@H]1OCC(=C)[C@@]21C[C@@H]1[C@@]([C@@H]2O)(C)[C@@H](C)C[C@H]2[C@@H]1O2.CO[C@H]1OCC(=C)[C@]21C[C@H]1[C@]([C@H]2O)(C)[C@H](C)C[C@@H]2[C@H]1O2
• Title of publication: A diverted total syntheses of potent cell adhesion inhibitor peribysin e analogues.
• Authors of publication: Handore, Kishor L.; Reddy, D. Srinivasa
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1894 - 1897
• a: 6.9099 ± 0.0006 Å
• b: 18.7473 ± 0.0016 Å
• c: 11.4333 ± 0.001 Å
• α: 90°
• β: 98.401 ± 0.002°
• γ: 90°
• Cell volume: 1465.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1297
• 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: Yes
• Has Fobs: No