Information card for entry 2232350

Structure parameters

• Chemical name: (1<i>R</i>,2<i>S</i>)-Methyl 1-(4-chlorophenyl)-3-oxo-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2- carboxylate 0.2-hydrate
• Formula: C19 H14.4 Cl N O3.2
• Calculated formula: C19 H14 Cl N O3.2
• Title of publication: (1<i>R</i>,2<i>S</i>)-Methyl 1-(4-chlorophenyl)-3-oxo-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2-carboxylate 0.2-hydrate
• Authors of publication: Raja, Sadiya; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2991
• a: 73.342 ± 0.004 Å
• b: 9.6065 ± 0.0004 Å
• c: 11.8737 ± 0.0007 Å
• α: 90°
• β: 92.432 ± 0.004°
• γ: 90°
• Cell volume: 8358.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes