Information card for entry 8101659

Structure parameters

• Formula: C19 H24 I N O2
• Calculated formula: C19 H24 I N O2
• Title of publication: Crystal structure of 1-benzyl-2-methyl-3-carbethoxy-7<i>S</i>-iodo- 4,5,6,7-3a(<i>R</i>),7a(<i>S</i>)-hexahydroindole, C~19~H~24~INO~2~
• Authors of publication: Zukerman-Schpector, J.; Carvalho, Cristina C.; Ferraz, Helena M.C.; Pereira, Fernando L.C.; Zinner, L.B.; Vicentini, G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1998
• Journal volume: 213
• Journal issue: 4
• Pages of publication: 735 - 736
• a: 5.4734 ± 0.0003 Å
• b: 11.8407 ± 0.0007 Å
• c: 28.508 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1847.57 ± 0.24 ų
• Ambient diffraction temperature: 191 ± 1 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 significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0803
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No