Information card for entry 1501807

Structure parameters

• Common name: Cbz-dolamethylleuine
• Formula: C15 H19 N O4
• Calculated formula: C15 H19 N O4
• SMILES: c1ccccc1COC(=O)N[C@H](C(C)C)[C@@H](C)C(=O)O
• Title of publication: Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units.
• Authors of publication: Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C.
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 1003 - 1008
• a: 7.2182 ± 0.0002 Å
• b: 8.5374 ± 0.0003 Å
• c: 12.1649 ± 0.0004 Å
• α: 90°
• β: 99.722 ± 0.002°
• γ: 90°
• Cell volume: 738.89 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No