Information card for entry 2222922

Structure parameters

• Chemical name: <i>N</i>-[(6-Bromo-2-methoxy-3-quinolyl)phenylmethyl]-2-morpholino- <i>N</i>-(1-phenylethyl)acetamide
• Formula: C31 H32 Br N3 O3
• Calculated formula: C31 H32 Br N3 O3
• SMILES: COc1nc2ccc(cc2cc1[C@H](N([C@@H](c1ccccc1)C)C(=O)CN1CCOCC1)c1ccccc1)Br
• Title of publication: <i>N</i>-[(6-Bromo-2-methoxy-3-quinolyl)phenylmethyl]-2-morpholino-<i>N</i>-(1-phenylethyl)acetamide
• Authors of publication: Cai, Zhi-Qiang; Xiong, Gang; Li, Shan-Rong; Liu, Jian-Bo; Sun, Tie-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1901
• a: 7.8696 ± 0.0014 Å
• b: 9.4558 ± 0.0016 Å
• c: 9.8018 ± 0.0017 Å
• α: 90.544 ± 0.002°
• β: 100.562 ± 0.003°
• γ: 104.618 ± 0.002°
• Cell volume: 692.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes