Information card for entry 7704128

Structure parameters

• Common name: (4-nacac-2-tertbutyl-phenanthridine)
• Formula: C22 H24 N2 O
• Calculated formula: C22 H24 N2 O
• SMILES: c1c2ccccc2c2c(c(cc(c2)C(C)(C)C)N/C(C)=C\C(=O)C)n1
• Title of publication: Monofunctional platinum(ii) anticancer complexes based on multidentate phenanthridine-containing ligand frameworks.
• Authors of publication: Lozada, Issiah B.; Huang, Bin; Stilgenbauer, Morgan; Beach, Travis; Qiu, Zihan; Zheng, Yaorong; Herbert, David E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6557 - 6560
• a: 13.084 ± 0.0008 Å
• b: 15.8238 ± 0.0009 Å
• c: 8.6839 ± 0.0005 Å
• α: 90°
• β: 98.385 ± 0.003°
• γ: 90°
• Cell volume: 1778.68 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No