Information card for entry 4036193

Structure parameters

• Formula: C15 H18 N2 O
• Calculated formula: C15 H18 N2 O
• SMILES: O1[C@H]2C[C@H](N([C@@H]2Cc2c3c1cccc3[nH]c2)C)C
• Title of publication: Total synthesis of the tetracyclic indole alkaloid ht-13-B.
• Authors of publication: Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4783 - 4790
• a: 7.213 ± 0.0003 Å
• b: 12.9671 ± 0.0005 Å
• c: 14.1141 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1320.12 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0378
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No