Information card for entry 4036853

Structure parameters

• Formula: C19 H21 N O3
• Calculated formula: C19 H20.5 N O3
• SMILES: O(c1c2[nH]c3ccccc3c2cc2c1CC(OC2)C(O)(C)C)C
• Title of publication: Biomimetic Collective Total Synthesis of Bioactive Carbazole Alkaloids Indizoline, Mafaicheenamine A, Claulamine A, Claulansine A, and the Proposed Claulamine E.
• Authors of publication: Markad, Shivaji B.; Argade, Narshinha P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 12
• Pages of publication: 5222 - 5227
• a: 12.5422 ± 0.0005 Å
• b: 15.4562 ± 0.0006 Å
• c: 16.4857 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3195.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No