Information card for entry 1555970

Structure parameters

• Formula: C23 H31 N
• Calculated formula: C23 H31 N
• SMILES: [nH]1c2c(c3ccccc13)C[C@@H]1[C@]3(CCCC([C@@H]3CC[C@@]21C)(C)C)C
• Title of publication: Biomimetic Enantioselective Total Synthesis of (-)-Mycoleptodiscin A.
• Authors of publication: Dethe, Dattatraya H.; Sau, Susanta Kumar; Mahapatra, Samarpita
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 6392 - 6395
• a: 7.1278 ± 0.0005 Å
• b: 11.0317 ± 0.0007 Å
• c: 24.0691 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1892.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1186
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No