Information card for entry 7009812

Structure parameters

• Formula: C18 H17 N2 O2 P
• Calculated formula: C18 H17 N2 O2 P
• SMILES: P(=O)(CNc1ncccc1O)(c1ccccc1)c1ccccc1
• Title of publication: The synthesis and co-ordination chemistry of new functionalised pyridylphosphines derived from Ph2PCH2OH †
• Authors of publication: Durran, Sean E.; Smith, Martin B.; Slawin, Alexandra M. Z.; Steed, Jonathan W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2771
• a: 8.7043 ± 0.0006 Å
• b: 10.8681 ± 0.0008 Å
• c: 17.2011 ± 0.0011 Å
• α: 90.024 ± 0.004°
• β: 91.491 ± 0.004°
• γ: 100.777 ± 0.004°
• Cell volume: 1597.95 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No