Information card for entry 4342232

Structure parameters

• Formula: C21 H16 N O P
• Calculated formula: C21 H16 N O P
• SMILES: P(c1cc2[nH]c(=O)ccc2cc1)(c1ccccc1)c1ccccc1
• Title of publication: Design, Synthesis, and Characterization of Hybrid Metal-Ligand Hydrogen-Bonded (MLHB) Supramolecular Architectures.
• Authors of publication: Sommer, Samantha K.; Zakharov, Lev N.; Pluth, Michael D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1912 - 1918
• a: 8.866 ± 0.002 Å
• b: 9.85 ± 0.003 Å
• c: 10.991 ± 0.003 Å
• α: 115.602 ± 0.004°
• β: 96.827 ± 0.004°
• γ: 93.94 ± 0.004°
• Cell volume: 851.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No