Information card for entry 7034931

Structure parameters

• Formula: C48 H40 Br N7 O6
• Calculated formula: C48 H40 Br N7 O6
• Title of publication: Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.
• Authors of publication: Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15220 - 15231
• a: 9.4588 ± 0.0005 Å
• b: 13.6915 ± 0.0007 Å
• c: 20.4866 ± 0.001 Å
• α: 91.493 ± 0.003°
• β: 94.733 ± 0.002°
• γ: 103.295 ± 0.002°
• Cell volume: 2570.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0874
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1852
• 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: No
• Has Fobs: No