Information card for entry 2205803

Structure parameters

• Common name: Oxocrebanine
• Chemical name: 8H-Benzo[g][1,3]benzodioxolo[6,5,4-de]quinolin-8-one
• Formula: C19 H13 N O5
• Calculated formula: C19 H13 N O5
• SMILES: O1c2c3c4c(cc2OC1)ccnc4C(=O)c1c(OC)c(ccc31)OC
• Title of publication: 8<i>H</i>-Benzo[<i>g</i>][1,3]benzodioxolo[6,5,4-<i>de</i>]quinolin-8-one (oxocrebanine)
• Authors of publication: Din, Laily Bin; Abdullah, Aryanti; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1450 - o1452
• a: 8.37 ± 0.002 Å
• b: 11.847 ± 0.003 Å
• c: 14.825 ± 0.004 Å
• α: 90°
• β: 93.096 ± 0.005°
• γ: 90°
• Cell volume: 1467.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes