Information card for entry 7713377

Structure parameters

• Formula: C29 H34 Cl Cu N5 O2
• Calculated formula: C29 H34 Cl Cu N5 O2
• SMILES: [Cu]12([n]3c(C(=[N]2N=C2N1CCCc1ccccc1c1c2[nH]c2ccccc12)C)cccc3)Cl.OC.OC(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: 7.632 ± 0.0008 Å
• b: 11.6124 ± 0.0012 Å
• c: 16.5842 ± 0.0017 Å
• α: 90.668 ± 0.003°
• β: 93.199 ± 0.003°
• γ: 105.631 ± 0.003°
• Cell volume: 1412.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No