Information card for entry 1555633

Structure parameters

• Formula: C33 H32 N2 O2 Pt
• Calculated formula: C33 H32 N2 O2 Pt
• SMILES: C1(=CC(C(C)(C)C)=[O][Pt]2(c3c4c(c5c(cccc5c5ccccc5)c5c4[n]2ccc5)ncc3)O1)C(C)(C)C
• Title of publication: Gram Scale Synthesis of Benzophenanthroline and Its Blue Phosphorescent Platinum Complex.
• Authors of publication: Saris, Patrick J. G.; Thompson, Mark E.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 3960 - 3963
• a: 5.767 ± 0.0008 Å
• b: 26.604 ± 0.004 Å
• c: 17.464 ± 0.002 Å
• α: 90°
• β: 96.051 ± 0.002°
• γ: 90°
• Cell volume: 2664.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No