Information card for entry 1518732

Structure parameters

• Formula: C48.63 H73.25 Cl3.25 N6 O10
• Calculated formula: C48.625 H73.25 Cl3.25 N6 O10
• Title of publication: Antineoplastic agents. 599. Total synthesis of dolastatin 16.
• Authors of publication: Pettit, George R.; Smith, Thomas H.; Arce, Pablo M.; Flahive, Erik J.; Anderson, Collin R.; Chapuis, Jean-Charles; Xu, Jun-Ping; Groy, Thomas L.; Belcher, Paul E.; Macdonald, Christian B.
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 3
• Pages of publication: 476 - 485
• a: 10.3987 ± 0.001 Å
• b: 18.7734 ± 0.0018 Å
• c: 27.849 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5436.7 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No