Information card for entry 7205068

Structure parameters

• Common name: (3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) butylenediamine hemi-salt
• Chemical name: (3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) butylenediamine hemi-salt
• Formula: C49 H53 Cl3 N2 O6
• Calculated formula: C49 H53 Cl3 N2 O6
• Title of publication: Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding
• Authors of publication: Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 167
• a: 12.8654 ± 0.0002 Å
• b: 14.0595 ± 0.0002 Å
• c: 14.5748 ± 0.0003 Å
• α: 114.863 ± 0.001°
• β: 91.742 ± 0.001°
• γ: 109.327 ± 0.001°
• Cell volume: 2212.46 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.2151
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No