Information card for entry 4074991

Structure parameters

• Formula: C24 H27 P
• Calculated formula: C24 H27 P
• SMILES: P(c1c2c3c(cc1)ccc1c3c(cc2)ccc1)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1461 - 1471
• a: 16.865 ± 0.01 Å
• b: 8.172 ± 0.005 Å
• c: 14.598 ± 0.009 Å
• α: 90°
• β: 103.052 ± 0.012°
• γ: 90°
• Cell volume: 1960 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1299
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No