Information card for entry 7055679

Structure parameters

• Chemical name: 1,3-dibromo-2-phenyl-1H-indene
• Formula: C15 H10 Br2
• Calculated formula: C15 H10 Br2
• SMILES: BrC1C(=C(Br)c2c1cccc2)c1ccccc1
• Title of publication: Synthesis of 1,3-dibromo-2-aryl-1H-indenes via NBS mediated unusual bromination of 2-alkynylbenzaldoximes
• Authors of publication: Singha, Raju; Ghosh, Munmun; Das, Saikat; Das, Dhiraj; Ray, Jayanta K.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 7269
• a: 16.202 ± 0.002 Å
• b: 7.6187 ± 0.0011 Å
• c: 20.676 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2552.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No