Information card for entry 2203614

Structure parameters

• Common name: Talatisidine
• Chemical name: 20-N-Ethyl-1,8,14-trihydroxy-16β,18-dimethoxylycoctonine
• Formula: C23 H37 N O5
• Calculated formula: C23 H37 N O5
• SMILES: O[C@H]1CC[C@]2([C@@H]3C[C@H]4[C@@]5(O)[C@H]6[C@@H]([C@@]13[C@H]4N(C2)CC)C[C@H]([C@H]6O)[C@H](OC)C5)COC
• Title of publication: 20-<i>N</i>-Ethyl-1,8,14-trihydroxy-16β,18-dimethoxylycoctonine
• Authors of publication: Shaheen, Farzana; Ahmad, Manzoor; Anjum, Shazia; Rahman, Azhar Abdul; Fun, Hoong-Kun; Ahmad, Habib; Choudhary, M. Iqbal; Atta-ur-Rahman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o774 - o776
• a: 24.189 ± 0.007 Å
• b: 7.747 ± 0.002 Å
• c: 13.31 ± 0.004 Å
• α: 90°
• β: 120.943 ± 0.005°
• γ: 90°
• Cell volume: 2139.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes