Information card for entry 7119266

Structure parameters

• Formula: C38 H46 N3 O4 P
• Calculated formula: C38 H46 N3 O4 P
• SMILES: P(c1c(C(=O)Nc2nc(NC(=O)CC(C)(C)C)ccc2)cccc1)(c1ccccc1)c1ccccc1.O1CCCC1.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: 41.6643 ± 0.0009 Å
• b: 9.4992 ± 0.0002 Å
• c: 18.7706 ± 0.0004 Å
• α: 90°
• β: 107.661 ± 0.001°
• γ: 90°
• Cell volume: 7078.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No