Information card for entry 2223018

Structure parameters

• Common name: <i>N</i>-cyano-7α-methoxycarbonyl-6,14-<i>endo</i>-ethenotetrahydronorthebaine
• Chemical name: methyl 17-cyano-3,6-dimethoxy-4,5α-epoxy-6,14- <i>endo</i>-ethenomorphinan-7-carboxylate
• Formula: C23 H24 N2 O5
• Calculated formula: C23 H24 N2 O5
• SMILES: c1(ccc2c3c1O[C@@H]1[C@]43[C@@]3([C@@H](C2)N(CC4)C#N)C[C@@H]([C@@]1(C=C3)OC)C(=O)OC)OC
• Title of publication: <i>N</i>-Cyano-7α-methoxycarbonyl-6,14-<i>endo</i>-ethenotetrahydronorthebaine
• Authors of publication: Odabaşoğlu, Mustafa; Yavuz, Serkan; Pamir, Özgür; Büyükgüngör, Orhan; Yıldırır, Yılmaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2205 - o2206
• a: 7.188 ± 0.0003 Å
• b: 11.138 ± 0.0004 Å
• c: 24.6389 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1972.59 ± 0.13 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: 0.043
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes