Information card for entry 7109157

Structure parameters

• Formula: C24 H19 F N2 O2 S
• Calculated formula: C24 H19 F N2 O2 S
• SMILES: O=S(=O)(n1c2n(CC=C)c3ccccc3c2c2cc(F)ccc12)c1ccc(C)cc1
• Title of publication: Conformationally restricted functionalized heteroaromatics: a direct access to novel indoloindoles via Pd-mediated reaction
• Authors of publication: Bagineni Prasad; B. Yogi Sreenivas; D. Rambabu; G. Rama Krishna; C. Malla Reddy; K. Lalith Kumar; Manojit Pal
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3970
• a: 8.4548 ± 0.0009 Å
• b: 11.3819 ± 0.0012 Å
• c: 11.7256 ± 0.0012 Å
• α: 106.632 ± 0.002°
• β: 107.674 ± 0.003°
• γ: 91.787 ± 0.002°
• Cell volume: 1021.48 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No