Information card for entry 7154759

Structure parameters

• Formula: C36 H44 F6 N3 P
• Calculated formula: C36 H44 F6 N3 P
• Title of publication: Synthesis and characterisation of a mesocyclic tripodal triamine ligand.
• Authors of publication: Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 483 - 494
• a: 10.9164 ± 0.0003 Å
• b: 16.2651 ± 0.0004 Å
• c: 19.0039 ± 0.0005 Å
• α: 90°
• β: 93.2134 ± 0.0009°
• γ: 90°
• Cell volume: 3368.96 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No