Information card for entry 2232507

Structure parameters

• Chemical name: <i>N</i>-[(<i>R</i>)-(6-Bromo-2-methoxyquinolin-3- yl)(phenyl)methyl]-<i>N</i>-[(<i>S</i>)-1-(4-methoxyphenyl)ethyl]- 2-(piperazin-1-yl)acetamide
• Formula: C32 H35 Br N4 O3
• Calculated formula: C32 H35 Br N4 O3
• SMILES: Brc1cc2c(nc(OC)c([C@H](N([C@H](c3ccc(OC)cc3)C)C(=O)CN3CCNCC3)c3ccccc3)c2)cc1
• Title of publication: <i>N</i>-[(<i>R</i>)-(6-Bromo-2-methoxyquinolin-3-yl)(phenyl)methyl]-<i>N</i>-[(<i>S</i>)-1-(4-methoxyphenyl)ethyl]-2-(piperazin-1-yl)acetamide
• Authors of publication: Yuan, Lei; Wang, Rui; Li, Chang-Yi; Wang, Zhi-Qiang; Sun, Tie-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2921
• a: 9.9738 ± 0.0009 Å
• b: 10.9397 ± 0.001 Å
• c: 27.91 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3045.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes