Information card for entry 2221389

Structure parameters

• Chemical name: 7α-Methoxycarbonyl-6,7,8,14-tetrahydro-6,14-<i>endo</i>-ethenothebaine
• Formula: C23 H27 N O5
• Calculated formula: C23 H27 N O5
• SMILES: O(c1ccc2c3c1O[C@@H]1[C@]43[C@@]3([C@H](N(CC4)C)C2)C[C@@H]([C@]1(OC)C=C3)C(=O)OC)C
• Title of publication: 7α-Methoxycarbonyl-6,7,8,14-tetrahydro-6,14-<i>endo</i>-ethenothebaine
• Authors of publication: Odabaşoğlu, Mustafa; Yavuz, Serkan; Pamir, Özgür; Yıldırır, Yılmaz; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o864
• a: 6.5604 ± 0.0002 Å
• b: 10.4082 ± 0.0003 Å
• c: 29.1382 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1989.61 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0358
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes