Information card for entry 7157259

Structure parameters

• Formula: C19 H23 N3 O5
• Calculated formula: C19 H23 N3 O5
• Title of publication: Isoquinolinequinone N-oxides as anticancer agents effective against drug resistant cell lines.
• Authors of publication: Kruschel, Ryan D.; Buzid, Alyah; Khandavilli, Udaya B Rao; Lawrence, Simon E.; Glennon, Jeremy D.; McCarthy, Florence O.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 557 - 568
• a: 6.8732 ± 0.0003 Å
• b: 16.6383 ± 0.0007 Å
• c: 16.3749 ± 0.0007 Å
• α: 90°
• β: 91.708 ± 0.001°
• γ: 90°
• Cell volume: 1871.77 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No