Information card for entry 7108179

Structure parameters

• Common name: N-(4-amino-2,2,6,6-tetramethylpiperidinyloxyl)-6-N-(2- methylaminopyridine)-7,12-dihydroindolo-(3,2-d)(1)benzazepine-9- carboxamide methanol solvate
• Chemical name: N-(4-amino-2,2,6,6-tetramethylpiperidinyloxyl)-6-N-(2-methylaminopyridine)-7,12- dihydroindolo-[3,2-d][1]benzazepine-9-carboxamide methanol solvate
• Formula: C33 H39 N6 O3
• Calculated formula: C33 H39 N6 O3
• SMILES: O=C(NC1CC([N](=O)C(C1)(C)C)(C)C)c1ccc2[nH]c3c4ccccc4N=C(NCc4ncccc4)Cc3c2c1.OC
• Title of publication: Ruthenium(II)- and osmium(II)-arene-based paullones bearing a TEMPO free-radical unit as potential anticancer drugs
• Authors of publication: Vladimir B. Arion; Anatolie Dobrov; Simone Goeschl; Michael A. Jakupec; Bernhard K. Keppler; Peter Rapta
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8559
• a: 17.778 ± 0.002 Å
• b: 26.576 ± 0.003 Å
• c: 12.4884 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5900.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No