Information card for entry 7226354

Structure parameters

• Chemical name: 3,5-Dimethyl-3-(4-methylpent-3-en-1-yl)pyrano[3,2-a] carbazole-11(3H)-carbaldehyde
• Formula: C24 H25 N O2
• Calculated formula: C24 H25 N O2
• SMILES: C1=C[C@](Oc2c(cc3c4ccccc4n(c3c12)C=O)C)(C)CCC=C(C)C
• Title of publication: Divergent Synthesis of prenylated carbazole alkaloids (+)-S-Mahanimbine led to the discovery of Notch activator
• Authors of publication: yedukondalu, nalli; Gupta, Gaurav; Nadkarni, Janhavi R.; Gupta, Vivek; Syed, Sajad Hussain; Ali, Asif
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.6204 ± 0.0005 Å
• b: 25.209 ± 0.003 Å
• c: 6.9669 ± 0.0006 Å
• α: 90°
• β: 93.885 ± 0.008°
• γ: 90°
• Cell volume: 984.83 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No