Information card for entry 2005739

Structure parameters

• Common name: Z-N-formylnornuciferin
• Chemical name: 4,5,6a,7-tetrahydro-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde
• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• SMILES: O=CN1CCc2c3[C@@H]1Cc1ccccc1c3c(c(c2)OC)OC
• Title of publication: (<i>Z</i>)-<i>N</i>-Formylnornuciferin Isolated from <i>Piper argyrophylum</i>
• Authors of publication: Simonsen, O.; Singh, S. K.; Wengel, J.; Parmar, V. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3195 - 3196
• a: 6.276 ± 0.001 Å
• b: 15.232 ± 0.001 Å
• c: 16.616 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1588.4 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.028
• Goodness-of-fit parameter for all reflections: 2.131
• Goodness-of-fit parameter for significantly intense reflections: 2.484
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No