Information card for entry 8101586

Structure parameters

• Common name: 1,1'-diethyl-2,2'-cyanine nitrate monohydrate
• Formula: C23 H25 N3 O4
• Calculated formula: C23 H25 N3 O4
• Title of publication: Crystal structure of 1-ethyl-2-(1-ethyl-1H-quinoline-2-ylidenmethylene) quinolinium nitrate monohydrate, (C~23~H~25~N~2~)NO~3~ · H~2~O
• Authors of publication: Koch, Oliver; Lork, Enno; Kleemeier, Malte; Schröer, Wolffram
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 567 - 568
• a: 13.404 ± 0.002 Å
• b: 10.516 ± 0.002 Å
• c: 14.634 ± 0.003 Å
• α: 90°
• β: 92.47 ± 0.02°
• γ: 90°
• Cell volume: 2060.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1391
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No