Information card for entry 2206029

Structure parameters

• Common name: (4aS*,7aR*)-2,10-Dioxoperhydrobenzo[d]naphthalene
• Chemical name: (4aS*,7aR*)-2,10(3H,11H)-Dioxooctahydro-1H-benzo[d]naphthalene
• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• SMILES: O=C1CC23[C@H](CC1)CCC[C@@H]2CCC(=O)C3.O=C1CC23[C@@H](CC1)CCC[C@H]2CCC(=O)C3
• Title of publication: (4a<i>S</i>*,7a<i>R</i>*)-2,10-Dioxoperhydrobenzo[<i>d</i>]naphthalene
• Authors of publication: Thompson, Hugh W.; Lalancette, Roger A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1614 - o1616
• a: 10.618 ± 0.003 Å
• b: 16.224 ± 0.004 Å
• c: 6.9661 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1200 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes