Information card for entry 7713371

Structure parameters

• Formula: C30 H35 Cl2 Cu N7 O2
• Calculated formula: C30 H35 Cl2 Cu N7 O2
• SMILES: [Cu]12(Cl)(Cl)[N]3CCc4ccccc4c4c(C=3N[N]1=C(c1[n]2cccc1)C)[nH]c1ccccc41.O=CN(C)C.O=CN(C)C
• Title of publication: Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents
• Authors of publication: Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.8729 ± 0.0002 Å
• b: 9.923 ± 0.0002 Å
• c: 16.4367 ± 0.0004 Å
• α: 77.4544 ± 0.001°
• β: 76.652 ± 0.0012°
• γ: 85.2866 ± 0.001°
• Cell volume: 1528.5 ± 0.06 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No