Information card for entry 1555402

Structure parameters

• Formula: C22 H15 Cl O
• Calculated formula: C22 H15 Cl O
• SMILES: c1cccc2C(=O)C(=C\c3ccc(cc3)Cl)\C(c12)c1ccccc1
• Title of publication: Palladium-Catalyzed Intermolecular Carbene Insertion Prior to Intramolecular Heck Cyclization: Synthesis of 2-Arylidene-3-aryl-1-indanones.
• Authors of publication: Arunprasath, Dhanarajan; Muthupandi, Pandi; Sekar, Govindasamy
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5448 - 5451
• a: 6.5461 ± 0.0002 Å
• b: 8.998 ± 0.0004 Å
• c: 14.2101 ± 0.0005 Å
• α: 92.224 ± 0.002°
• β: 101.253 ± 0.0019°
• γ: 92.809 ± 0.002°
• Cell volume: 818.92 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No