Information card for entry 4027621

Structure parameters

• Formula: C22 H15 O P
• Calculated formula: C22 H15 O P
• SMILES: P1(=O)(c2cc3c(cc2c2c1cccc2)cccc3)c1ccccc1
• Title of publication: Correction to Palladium-Catalyzed Synthesis of Dibenzophosphole Oxides via Intramolecular Dehydrogenative Cyclization
• Authors of publication: Yoichiro Kuninobu; Takuya Yoshida; Kazuhiko Takai
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9436 - 9436
• a: 10.7081 ± 0.0018 Å
• b: 11.528 ± 0.003 Å
• c: 15.923 ± 0.004 Å
• α: 82.572 ± 0.013°
• β: 71.608 ± 0.011°
• γ: 62.462 ± 0.009°
• Cell volume: 1653.5 ± 0.7 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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 significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No