Information card for entry 7054636

Structure parameters

• Chemical name: Ethyl(2R,3aR,10bR)-1-benzyl-10-chloro-1,2,3,3a,4,10b-hexadydropyrrolo- [2'3':3,4]pyrrolo[1,2-a]indole-2-carboxylate
• Formula: C23 H23 Cl N2 O2
• Calculated formula: C23 H23 Cl N2 O2
• Title of publication: Efficient synthesis of some new antiproliferative N-fused indoles and isoquinolines via 1,3-dipolar cycloaddition reaction in an ionic liquid
• Authors of publication: Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.; Plata, Gabriela B.; Padrón, José M.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 2657
• a: 9.2721 ± 0.0007 Å
• b: 10.3272 ± 0.0006 Å
• c: 10.7817 ± 0.0007 Å
• α: 81.614 ± 0.005°
• β: 81.335 ± 0.006°
• γ: 89.456 ± 0.005°
• Cell volume: 1009.62 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No