Information card for entry 7122078

Structure parameters

• Formula: C42.5 H29 N3 O0.5
• Calculated formula: C42.5001 H29.0004 N3 O0.5001
• Title of publication: Multicarbazole scaffolds for selective G-quadruplex binding.
• Authors of publication: Ou, Arnold; Guédin, Aurore; Skelton, Brian W.; Amrane, Samir; Evans, Cameron W.; Norret, Marck; Iyer, K. Swaminathan; Mergny, Jean-Louis; Smith, Nicole M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 69
• Pages of publication: 9647 - 9650
• a: 21.982 ± 0.0005 Å
• b: 21.982 ± 0.0005 Å
• c: 10.3781 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4342.93 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No