Information card for entry 8101435

Structure parameters

• Formula: C28 H37 N3 O3
• Calculated formula: C28 H37 N3 O3
• SMILES: N1(C(=O)c2ccc3C(=O)N(N(c4ccc(C1=O)c2c34)C)C)C(CCCCCC)CCCCCC
• Title of publication: Crystal structure of N,N'-dimethyl-N''-(1-methylpropyl)naphthalene- 1:4,5-tricarboxylic-4,5-imide-1,8-hydrazame, C~19~H~19~N~3~O~3~ and of N,N'-dimethyl-N''-(1-hexylheptyl)naphthalene-1:4,5-tricarboxylic- 4,5-imide-1,8-hydrazame, C~28~H~37~N~3~O~3~, two naphthalene hydrazamimides
• Authors of publication: Langhals, Heinz; Ismael, Rami; Polborn, Kurt
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 35 - 37
• a: 8.83 ± 0.002 Å
• b: 9.253 ± 0.002 Å
• c: 18.225 ± 0.003 Å
• α: 81.14 ± 0.02°
• β: 81.794 ± 0.015°
• γ: 61.09 ± 0.02°
• Cell volume: 1283.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.3935
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No