Information card for entry 8100322

Structure parameters

• Formula: C24 H28 F3 N3 O6
• Calculated formula: C24 H28 F3 N3 O6
• Title of publication: Crystal structure of N-(2,2-dimethoxyethyl)-N'-(trifluoro-acetyl)-phenylalanyl- dehydrophenylalaninamide hydrate, C~24~H~26~N~3~O~5~F~3~ · H~2~O, a precursor of intramolecular double cyclization into imidazolopyrazinone
• Authors of publication: Tinant, Bernard; Devillers, Ingrid; Rees, Jean-François; Marchand-Brynaert, Jacqueline
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 2
• Pages of publication: 194 - 196
• a: 9.677 ± 0.004 Å
• b: 11.005 ± 0.005 Å
• c: 24.858 ± 0.007 Å
• α: 90°
• β: 92.12°
• γ: 90°
• Cell volume: 2645.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No