Information card for entry 2237240

Structure parameters

• Chemical name: 3-{3,5-Bis[(2-butoxyethoxy)carbonyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl}- 1-[(3,4,5-trimethoxybenzoyl)methyl]pyridinium bromide
• Formula: C37 H51 Br N2 O10
• Calculated formula: C37 H51 Br N2 O10
• Title of publication: 3-{3,5-Bis[(2-butoxyethoxy)carbonyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl}-1-[(3,4,5-trimethoxybenzoyl)methyl]pyridinium bromide
• Authors of publication: Bisenieks, Imants; Mishnev, Anatoly; Bruvere, Imanta; Vigante, Brigita
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o58 - o59
• a: 8.9501 ± 0.0002 Å
• b: 12.4741 ± 0.0003 Å
• c: 17.6994 ± 0.0005 Å
• α: 93.057 ± 0.001°
• β: 91.658 ± 0.001°
• γ: 108.024 ± 0.001°
• Cell volume: 1874.25 ± 0.08 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes