Information card for entry 7713370

Structure parameters

• Formula: C25 H29 Br N2 O4
• Calculated formula: C25 H29 Br N2 O4
• SMILES: Brc1c(cccc1)CCN(C(=O)c1n(c2ccccc2c1)COCC)C(=O)OC(C)(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: 9.0922 ± 0.0004 Å
• b: 10.7884 ± 0.0005 Å
• c: 13.2927 ± 0.0007 Å
• α: 72.853 ± 0.004°
• β: 81.357 ± 0.004°
• γ: 75.773 ± 0.004°
• Cell volume: 1203.45 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No