Information card for entry 2001482

Structure parameters

• Formula: C20 H26 Cl2 N2 O2
• Calculated formula: C20 H26 Cl2 N2 O2
• Title of publication: Structure and absolute configuration of a high affinity 5-HT~3~ receptor antagonist, (5a<i>S</i>,9a<i>S</i>)-<i>N</i>-[(3<i>S</i>)-1-azabicyclo[2.2.2]octan-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydro-4-dibenzofurancarboxamide hydrochloride
• Authors of publication: Ammon, H. L.; Youssefyeh, R. D.; Airey, J. E.; Studt, W. L.; Campbell, H. F.; Powers, M. R.; Golec, F. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1551 - 1554
• a: 7.453 ± 0.0004 Å
• b: 9.5633 ± 0.0005 Å
• c: 27.831 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1983.7 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No