Information card for entry 2008862

Structure parameters

• Common name: di[1-dimethylamino-8-dimethylammonionaphthalene][naphthalene-1,5-dicarboxylic acid-4,8-dicarboxylate] dihydrate
• Formula: C21 H24 N2 O5
• Calculated formula: C42 H48 N4 O10
• Title of publication: Hydrogen bonding and C—H···O interactions in bis(8-dimethylamino-1-dimethylammonionaphthalene) [(DMANH^+^)~2~] 4,8-dicarboxynaphthalene-1,5-dicarboxylate dihydrate
• Authors of publication: Fitzgerald, Lawrence J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1556 - 1559
• a: 7.726 ± 0.002 Å
• b: 9.818 ± 0.002 Å
• c: 13.169 ± 0.002 Å
• α: 99 ± 0.01°
• β: 106.57 ± 0.02°
• γ: 91.54 ± 0.02°
• Cell volume: 942.9 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No