Information card for entry 4101256

Structure parameters

• Formula: C30 H26 Cl4 N2 O2
• Calculated formula: C30 H26 Cl4 N2 O2
• SMILES: [Cl-].[NH+]1=C(N([C@H]([C@@]1(c1ccccc1)C(=O)O)c1ccccc1)Cc1ccccc1)c1ccccc1.ClC(Cl)Cl.[Cl-].[NH+]1=C(N([C@@H]([C@]1(c1ccccc1)C(=O)O)c1ccccc1)Cc1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: Sensitization of cancer cells to DNA damaging agents by imidazolines.
• Authors of publication: Sharma, Vasudha; Peddibhotla, Satyamaheshwar; Tepe, Jetze J
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 28
• Pages of publication: 9137 - 9143
• a: 10.256 ± 0.002 Å
• b: 11.428 ± 0.002 Å
• c: 13.011 ± 0.003 Å
• α: 90.97 ± 0.03°
• β: 105.28 ± 0.03°
• γ: 90.96 ± 0.03°
• Cell volume: 1470.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1346
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No