Information card for entry 1573795

Structure parameters

• Formula: C44.66667 H33 N O2 Pt
• Calculated formula: C44.6667 H33 N O2 Pt
• SMILES: [Pt]12(c3ccc4C5(c6ccc7ccccc7c6c4c3c3[n]1ccc1ccccc31)c1ccccc1c1ccccc51)OC(=CC(=[O]2)C)C.CCCCC
• Title of publication: Synthesis of highly fluorescent helical quinolizinium salts by a Rh-catalyzed cyclotrimerization/C-H activation sequence.
• Authors of publication: Cadart, Timothée; Feriancová, Lucia; Henke, Petr; Gyepes, Robert; Císařová, Ivana; Kalíková, Květa; Kotora, Martin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 24
• Pages of publication: 4662 - 4665
• a: 12.7645 ± 0.0006 Å
• b: 18.0822 ± 0.001 Å
• c: 22.7774 ± 0.0013 Å
• α: 89.964 ± 0.002°
• β: 81.068 ± 0.002°
• γ: 85.594 ± 0.002°
• Cell volume: 5177.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No