Information card for entry 4036214

Structure parameters

• Formula: C23 H25 N O2
• Calculated formula: C23 H25 N O2
• SMILES: c12c3c(cc4c5ccc(O)cc5n(c14)C([C@H]1CC[C@@](O3)(C[C@@H]21)C)(C)C)C.c12c3c(cc4c5ccc(O)cc5n(c14)C([C@@H]1CC[C@](O3)(C[C@H]21)C)(C)C)C
• Title of publication: Total syntheses of murrayamine E, I, and K.
• Authors of publication: Schuster, Christian; Julich-Gruner, Konstanze K; Schnitzler, Heinrich; Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 5666 - 5673
• a: 10.845 ± 0.003 Å
• b: 11.246 ± 0.002 Å
• c: 15.472 ± 0.003 Å
• α: 90°
• β: 107.92 ± 0.02°
• γ: 90°
• Cell volume: 1795.5 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No