Information card for entry 7105453

Structure parameters

• Formula: C25 H25 N2 O2
• Calculated formula: C25 H25 N2 O2
• SMILES: O=C(OCC)C1[C@H](C[C@H]2N(CCc3c4c([nH]c23)cccc4)C=1C)c1ccccc1
• Title of publication: Organocatalyzed enantioselective one-pot three-component access to indoloquinolizidines by a Michael addition-Pictet-Spengler sequence.
• Authors of publication: Wu, Xiaoyu; Dai, Xiaoyang; Nie, Linlin; Fang, Huihui; Chen, Jie; Ren, Zhongjiao; Cao, Weiguo; Zhao, Gang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2733 - 2735
• a: 8.356 ± 0.003 Å
• b: 7.93 ± 0.002 Å
• c: 15.722 ± 0.005 Å
• α: 90°
• β: 103.369 ± 0.004°
• γ: 90°
• Cell volume: 1013.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No