Information card for entry 1513383

Structure parameters

• Formula: C40 H49 B N2 O2 Pt
• Calculated formula: C40 H49 B N2 O2 Pt
• SMILES: [Pt]12(OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)[n]1cccc3C[B]([n]4c(c13)c2ccc4)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Chelation-assisted photoelimination of b,n-heterocycles.
• Authors of publication: Ko, Soo-Byung; Lu, Jia-Sheng; Wang, Suning
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 616 - 619
• a: 36.782 ± 0.007 Å
• b: 36.782 ± 0.007 Å
• c: 14.26 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16708 ± 6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1645
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No