Information card for entry 7154782

Structure parameters

• Formula: C104 H102 Cl8 N6 O4
• Calculated formula: C104 H102 Cl8 N6 O4
• Title of publication: Readily prepared inclusion forming chiral calixsalens.
• Authors of publication: Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 669 - 673
• a: 14.177 ± 0.002 Å
• b: 21.094 ± 0.003 Å
• c: 32.557 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9736 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No