Information card for entry 7106598

Structure parameters

• Formula: C24 H34 N2
• Calculated formula: C24 H34 N2
• SMILES: N#CC[C@@]12N(Cc3ccccc3)CC[C@H]2[C@]2(CCCC(C)(C)[C@@H]2CC1)C
• Title of publication: Total synthesis of (±)-chamobtusin A
• Authors of publication: Hikaru Suzuki; Sakae Aoyagi
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7878
• a: 8.0477 ± 0.0018 Å
• b: 9.343 ± 0.002 Å
• c: 27.225 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2047 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No