Information card for entry 2004681

Structure parameters

• Common name: Boc-Gly-Gly-(L)-Phe-(D)-Met-OMe dihydrate
• Formula: C24 H40 N4 O9 S
• Calculated formula: C24 H40 N4 O9 S
• SMILES: S(CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)OC)C.O.O
• Title of publication: Three Protected Tetrapeptides
• Authors of publication: Fenude, E.; Casalone, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 973 - 978
• a: 8.919 ± 0.002 Å
• b: 9.353 ± 0.001 Å
• c: 35.408 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2953.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections: 0.1316
• Weighted residual factors for significantly intense reflections: 0.116
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No