Information card for entry 7115711

Structure parameters

• Formula: C36 H40 N6 O6
• Calculated formula: C36 H40 N6 O6
• Title of publication: Conformationally switchable non-cyclic tetrapyrrole receptors: synthesis of tetrakis(1H-pyrrole-2-carbaldehyde) derivatives and their anion binding properties
• Authors of publication: Murat K. Deliomeroglu; Vincent M. Lynch; Jonathan L. Sessler
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11863
• a: 8.387 ± 0.0004 Å
• b: 14.2432 ± 0.0005 Å
• c: 14.6816 ± 0.0007 Å
• α: 90°
• β: 104.354 ± 0.002°
• γ: 90°
• Cell volume: 1699.08 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No