Information card for entry 7119265

Structure parameters

• Formula: C34 H38 N3 O3 P
• Calculated formula: C34 H38 N3 O3 P
• SMILES: P(c1cccc(C(=O)Nc2nc(NC(=O)CC(C)(C)C)ccc2)c1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Supramolecular bidentate phosphine ligand scaffolds from deconstructed Hamilton receptors.
• Authors of publication: Seidenkranz, Daniel T.; McGrath, Jacqueline M.; Zakharov, Lev N.; Pluth, Michael D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 561 - 564
• a: 10.4191 ± 0.0003 Å
• b: 9.367 ± 0.0003 Å
• c: 32.2457 ± 0.0009 Å
• α: 90°
• β: 95.25 ± 0.002°
• γ: 90°
• Cell volume: 3133.84 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No