Information card for entry 1517393

Structure parameters

• Formula: C26 H20 Br Cl N2 O2 S
• Calculated formula: C26 H20 Br Cl N2 O2 S
• SMILES: c1c2c(cc3c(ccc(c3)Br)n2cc1)N(Cc1ccc(cc1)Cl)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Synthesis of Pyrrolo-/Indolo[1,2-a]quinolines and Naphtho[2,1-b]thiophenes from gem-Dibromovinyls and Sulphonamides.
• Authors of publication: Kiruthika, Selvarangam E.; Nandakumar, Avanashiappan; Perumal, Paramasivan Thirumalai
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 4424
• a: 9.6181 ± 0.0006 Å
• b: 11.3853 ± 0.0006 Å
• c: 11.4584 ± 0.0006 Å
• α: 96.403 ± 0.002°
• β: 92.318 ± 0.002°
• γ: 109.423 ± 0.002°
• Cell volume: 1171.93 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No