Information card for entry 7121155

Structure parameters

• Chemical name: N,N',N''-(nitrilotris(ethane-2,1-diyl))tris(4-(trifluoromethyl)benzamide)
• Formula: C30 H27 F9 N4 O3
• Calculated formula: C30 H27 F9 N4 O3
• Title of publication: Modular tripodal receptors for the hydrosulfide (HS^-) anion.
• Authors of publication: Lau, Nathanael; Zakharov, Lev N.; Pluth, Michael D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 2337 - 2340
• a: 8.6772 ± 0.0002 Å
• b: 12.4885 ± 0.0003 Å
• c: 14.3777 ± 0.0003 Å
• α: 88.841 ± 0.001°
• β: 85.99 ± 0.001°
• γ: 69.956 ± 0.001°
• Cell volume: 1460.08 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No