Information card for entry 7224634

Structure parameters

• Formula: C43 H47 Br3 Cl2 N6 O3
• Calculated formula: C43 H47 Br3 Cl2 N6 O3
• Title of publication: Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens
• Authors of publication: Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4996
• a: 31.614 ± 0.002 Å
• b: 14.2436 ± 0.0004 Å
• c: 24.503 ± 0.001 Å
• α: 90°
• β: 124.645 ± 0.007°
• γ: 90°
• Cell volume: 9077.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No