Information card for entry 2010790

Structure parameters

• Chemical name: (8-dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,6,7,7-hexachloro-bicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate (1:1:1)
• Formula: C23 H24 Cl6 N2 O5
• Calculated formula: C23 H24 Cl6 N2 O5
• Title of publication: (8-Dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,-6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate
• Authors of publication: Keller, Daphne E.; Kooijman, Huub; Scheurs, Antoine M. M.; Kroon, Jan; Grech, Eugeniusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 479 - 480
• a: 8.7122 ± 0.0005 Å
• b: 12.8097 ± 0.0011 Å
• c: 13.7023 ± 0.0012 Å
• α: 113.2 ± 0.007°
• β: 91.68 ± 0.006°
• γ: 101.35 ± 0.006°
• Cell volume: 1368.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes