Information card for entry 7155281

Structure parameters

• Formula: C20 H16 N2 O3
• Calculated formula: C20 H16 N2 O3
• SMILES: O=C1C(=C(OCC)C(=O)c2c1ccn1c2cnc1C)c1ccccc1
• Title of publication: Triggering apoptosis in cancer cells with an analogue of cribrostatin 6 that elevates intracellular ROS.
• Authors of publication: Asby, D. J.; Radigois, M. G.; Wilson, D. C.; Cuda, F.; Chai, C. L. L.; Chen, A.; Bienemann, A. S.; Light, M. E.; Harrowven, D. C.; Tavassoli, A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 39
• Pages of publication: 9322 - 9330
• a: 6.4411 ± 0.0005 Å
• b: 16.0503 ± 0.0012 Å
• c: 30.612 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3164.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No