Information card for entry 7156882

Structure parameters

• Formula: C19 H20 O6
• Calculated formula: C19 H20 O6
• Title of publication: Synthesis and evaluation of antiproliferative microtubule-destabilising combretastatin A-4 piperazine conjugates.
• Authors of publication: O'Boyle, Niamh M; Ana, Gloria; Kelly, Patrick M.; Nathwani, Seema M.; Noorani, Sara; Fayne, Darren; Bright, Sandra A.; Twamley, Brendan; Zisterer, Daniela M.; Meegan, Mary J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 25
• Pages of publication: 6184 - 6200
• a: 7.7673 ± 0.0002 Å
• b: 8.9291 ± 0.0003 Å
• c: 12.6819 ± 0.0004 Å
• α: 99.235 ± 0.002°
• β: 90.839 ± 0.002°
• γ: 93.211 ± 0.002°
• Cell volume: 866.54 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No