Information card for entry 7205063

Structure parameters

• Common name: (3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt
• Chemical name: (3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt
• Formula: C49 H54 N2 O6
• Calculated formula: C49 H54 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: 12.6886 ± 0.0003 Å
• b: 14.0567 ± 0.0004 Å
• c: 14.1856 ± 0.0006 Å
• α: 96.182 ± 0.001°
• β: 110.043 ± 0.001°
• γ: 116.463 ± 0.002°
• Cell volume: 2023.28 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No