Information card for entry 2007058

Structure parameters

• Common name: rotundifoline
• Chemical name: E-Seco 9(hydroxy)20-Hβ 19-ethyl rhynchophylline
• Formula: C22 H28 N2 O5
• Calculated formula: C22 H28 N2 O5
• SMILES: CO/C=C(\[C@@H]1C[C@H]2N(C[C@H]1CC)CC[C@@]12C(=O)Nc2c1c(O)ccc2)C(=O)OC
• Title of publication: Rotundifoline, an Oxoindole Alkaloid
• Authors of publication: Ashish Mukhopadhyyay; Samar Kumar Talapatra; Ashin Kumar Saha; Pranab Kumar Lala; Sunil Kumar Mazumdar; Kinkini Bhattacharyya
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 399 - 401
• a: 8.313 ± 0.001 Å
• b: 13.367 ± 0.001 Å
• c: 18.981 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2109.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1818
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No