Information card for entry 7713373

Structure parameters

• Formula: C24 H20 Br N5
• Calculated formula: C24 H20 Br N5
• SMILES: Brc1ccc2[nH]c3/C(NCCc4ccccc4c3c2c1)=N/N=C(/c1ncccc1)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: 8.0799 ± 0.0003 Å
• b: 15.5637 ± 0.0005 Å
• c: 15.6684 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1970.35 ± 0.12 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1227
• 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