Information card for entry 7159668

Structure parameters

• Chemical name: 4-(p-tolyl)benzo[e][1,2]oxaphosphinine 2-oxide
• Formula: C15 H13 O2 P
• Calculated formula: C15 H13 O2 P
• Title of publication: Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides
• Authors of publication: Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 1629 - 1633
• a: 11.0159 ± 0.0007 Å
• b: 4.4255 ± 0.0003 Å
• c: 25.0968 ± 0.0016 Å
• α: 90°
• β: 92.518 ± 0.003°
• γ: 90°
• Cell volume: 1222.31 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No