Information card for entry 2237106

Structure parameters

• Chemical name: 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1<i>H</i>- pyrido[3,2,1-<i>ij</i>]quinolinium tribromide
• Formula: C15 H16 Br3 N O4
• Calculated formula: C15 H16 Br3 N O4
• Title of publication: 6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolinium tribromide
• Authors of publication: Rybakov, Victor B.; Shishkina, Svitlana V.; Ukrainets, Igor V.; Golik, Nikolai Yu.; Chernenok, Igor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o82
• a: 7.6491 ± 0.0008 Å
• b: 9.1729 ± 0.001 Å
• c: 13.3722 ± 0.0014 Å
• α: 102.355 ± 0.009°
• β: 98.777 ± 0.009°
• γ: 98.093 ± 0.009°
• Cell volume: 891.05 ± 0.17 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: 0.19
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes