Information card for entry 1517912

Structure parameters

• Formula: C32 H24 As F3 O
• Calculated formula: C32 H24 As F3 O
• SMILES: [As]1(OC(c2ccccc12)(c1ccccc1)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones.
• Authors of publication: Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 5132 - 5135
• a: 12.3316 ± 0.0008 Å
• b: 10.387 ± 0.0007 Å
• c: 20.2159 ± 0.0013 Å
• α: 90°
• β: 100.383 ± 0.004°
• γ: 90°
• Cell volume: 2547 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No