Information card for entry 4036365

Structure parameters

• Common name: Ligand
• Formula: C22 H22 N2 O2
• Calculated formula: C22 H22 N2 O2
• SMILES: O=C(OCC)C(c1c2ccccc2n(c1)C)c1cn(c2ccccc12)C
• Title of publication: Visible Light Mediated Organocatalytic Activation of Ethyl Bromofluoroacetate: Coupling with Indoles and Anilines.
• Authors of publication: Jadhav, Santosh D.; Bakshi, Debanjan; Singh, Anand
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 20
• Pages of publication: 10187 - 10196
• a: 14.031 ± 0.006 Å
• b: 7.662 ± 0.003 Å
• c: 18.392 ± 0.008 Å
• α: 90°
• β: 110.325 ± 0.008°
• γ: 90°
• Cell volume: 1854.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No