Information card for entry 2009766

Structure parameters

• Formula: C21 H27 N O4
• Calculated formula: C21 H27 N O4
• SMILES: C=C[C@H]1CCC[C@H]2[C@@]1(C(=O)C[C@H](N2C(=O)Oc1ccccc1)CCC)O
• Title of publication: An unusual C-4a hydroxylated decahydroquinolone
• Authors of publication: Joseph, S.P.; Comins, D.L.; Singh, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 950 - 952
• a: 13.764 ± 0.005 Å
• b: 7.787 ± 0.007 Å
• c: 18.047 ± 0.009 Å
• α: 90°
• β: 92.83 ± 0.03°
• γ: 90°
• Cell volume: 1932 ± 2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.4
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No