Information card for entry 1514282

Structure parameters

• Formula: C37 H27 N O3 Pt
• Calculated formula: C37 H27 N O3 Pt
• SMILES: [Pt]12(c3c(c4[n]1cccc4)c1c(c(OC)c3)ccc3ccc4ccc5ccc6ccccc6c5c4c13)OC(=CC(=[O]2)C)C
• Title of publication: Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
• Authors of publication: Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1915 - 1927
• a: 7.554 ± 0.0001 Å
• b: 17.939 ± 0.0004 Å
• c: 21.6527 ± 0.0006 Å
• α: 66.669 ± 0.002°
• β: 87.131 ± 0.002°
• γ: 86.992 ± 0.002°
• Cell volume: 2689.18 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No