Information card for entry 4303820

Structure parameters

• Formula: C18 H14 I O P
• Calculated formula: C18 H14 I O P
• SMILES: Ic1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
• Title of publication: Visible Chromophore Phosphines as Functional Elements of Luminescent Metallopolymers
• Authors of publication: Eleanor G. Tennyson; Rhett C. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11483 - 11485
• a: 6.1752 ± 0.0012 Å
• b: 15.139 ± 0.003 Å
• c: 16.74 ± 0.003 Å
• α: 90°
• β: 94.39 ± 0.03°
• γ: 90°
• Cell volume: 1560.4 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1723
• 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: No
• Has Fobs: No