Information card for entry 7159707

Structure parameters

• Chemical name: 3-(2-bromophenyl)-1-cyclohexyl-4-(1H-indol-2-yl)-1H-pyrrole-2,5-dione
• Formula: C24 H21 Br N2 O2
• Calculated formula: C24 H21 Br N2 O2
• SMILES: Brc1c(C2=C(c3[nH]c4c(c3)cccc4)C(=O)N(C2=O)C2CCCCC2)cccc1
• Title of publication: Two distinct protocols for the synthesis of unsymmetrical 3,4-disubstituted maleimides based on transition-metal catalysts.
• Authors of publication: Bandehali-Naeini, Farzaneh; Tanbakouchian, Zahra; Farajinia-Lehi, Noushin; Mayer, Nicolas; Shiri, Morteza; Breugst, Martin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 380 - 387
• a: 12.1123 ± 0.0007 Å
• b: 13.4106 ± 0.0009 Å
• c: 15.0272 ± 0.0007 Å
• α: 90.102 ± 0.005°
• β: 111.664 ± 0.005°
• γ: 113.639 ± 0.006°
• Cell volume: 2045.7 ± 0.3 ų
• Cell temperature: 153 ± 70 K
• Ambient diffraction temperature: 153 ± 70 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: 0.0941
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2439
• Weighted residual factors for all reflections included in the refinement: 0.283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No