Information card for entry 2007840

Structure parameters

• Chemical name: Ter-butoxy carbonyl glycyl-L-valyl-L-tryptophan methyl ester
• Formula: C24 H34 N4 O6
• Calculated formula: C24 H34 N4 O6
• SMILES: C(C)(C)(C)OC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC
• Title of publication: Methyl <i>N</i>-(<i>tert</i>-Butoxycarbonyl)glycyl-<small>L</small>-valyl-<small>L</small>-tryptophanate
• Authors of publication: Sankaran Banumathi; Devadasan Velmurugan; Easwara Subramanian; Sethuram Bandacharya Katti; Wahajul Haq
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1681 - 1683
• a: 9.022 ± 0.001 Å
• b: 11.052 ± 0.001 Å
• c: 26.58 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2650.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No