Information card for entry 7109944

Structure parameters

• Chemical name: N-(9-Carboxamide)-N-(4-amino-2,2,6,6-tetramethylpiperidinooxy)-7,12-dihydroindolo- [3,2-d][1]benzazepin-6(5H)-ylidene)-N'-(1-pyridin-2-yl-ethyliden]azin-5-ide- chlorido-copper(II) tetrahydrofurane solvate
• Formula: C66 H70 Cl2 Cu2 N14 O4
• Calculated formula: C66 H70 Cl2 Cu2 N14 O4
• Title of publication: A highly cytotoxic modified paullone ligand bearing a TEMPO free-radical unit and its copper(II) complex as potential hR2 RNR inhibitors
• Authors of publication: Anatolie Dobrov; Simone Goschl; Michael A. Jakupec; Ana Popovic-Bijelic; Astrid Graslund; Peter Raptad; Vladimir B. Arion
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10007
• a: 12.7891 ± 0.0007 Å
• b: 28.6933 ± 0.0015 Å
• c: 11.9318 ± 0.0006 Å
• α: 90°
• β: 104.934 ± 0.003°
• γ: 90°
• Cell volume: 4230.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No