Information card for entry 7231289

Structure parameters

• Formula: C42 H48 N6 O3
• Calculated formula: C42 H48 N6 O3
• Title of publication: Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines
• Authors of publication: Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 35
• Pages of publication: 5200
• a: 5.7811 ± 0.0003 Å
• b: 15.3719 ± 0.0009 Å
• c: 23.4378 ± 0.0008 Å
• α: 102.629 ± 0.004°
• β: 90.481 ± 0.003°
• γ: 95.883 ± 0.004°
• Cell volume: 2020.72 ± 0.18 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No