Information card for entry 4036192

Structure parameters

• Formula: C19 H24 N2 O5
• Calculated formula: C19 H24 N2 O5
• SMILES: O1[C@H]2C[C@H](N([C@@H]2C=CCc2c1cccc2N(=O)=O)C(=O)OC(C)(C)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: 8.7785 ± 0.0009 Å
• b: 13.8258 ± 0.0013 Å
• c: 15.4586 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1876.2 ± 0.3 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: 0.1307
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK/a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No