Information card for entry 2008991

Structure parameters

• Formula: C24 H33 N3 O6
• Calculated formula: C24 H33 N3 O6
• SMILES: C(C)(C)(C)OC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC1(CCCCCCC1)C(=O)OC
• Title of publication: Methyl 1-(<i>tert</i>-butoxycarbonyl-<small>L</small>-alanyl-<small>L</small>-leucylamino)cyclooctane-1-carboxylate
• Authors of publication: Banumathi, S.; Velmurugan, D.; Ravikumar, K.; Vijayalakshmi, S.; Balaji Rao, R.; Balaram, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1575 - 1577
• a: 11.375 ± 0.003 Å
• b: 10.438 ± 0.003 Å
• c: 12.577 ± 0.004 Å
• α: 90°
• β: 115.8 ± 0.02°
• γ: 90°
• Cell volume: 1344.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No