Information card for entry 7115339

Structure parameters

• Formula: C25 H27 Cl3 N2 O6 S
• Calculated formula: C25 H27 Cl3 N2 O6 S
• SMILES: C12=C(C(CC(=O)OC)N(c3c1cccc3)C(=O)OCC)CCN2S(=O)(=O)c1ccc(cc1)C.C(Cl)(Cl)Cl
• Title of publication: An expedient approach to pyrrolo[3,2-c]quinolines via regioselective formation of the pyrrole nucleus over indoles
• Authors of publication: Manjusha V. Karkhelikar; Rajeev R. Jha; B. Sridhar; Pravin R. Likhar; Akhilesh K. Verma
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8526
• a: 17.5098 ± 0.0018 Å
• b: 8.4729 ± 0.0009 Å
• c: 18.956 ± 0.002 Å
• α: 90°
• β: 94.435 ± 0.002°
• γ: 90°
• Cell volume: 2803.9 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No