Information card for entry 7205037

Structure parameters

• Formula: C29 H25 As O3
• Calculated formula: C29 H25 As O3
• SMILES: [As]1([O]=C2C(C=1C(=O)OCC)=CC=CC=C2)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, structure, and reactivity of (triphenylarsoranylidene)methylcyclohepta-2,4,6-trienone derivatives: reactions with heterocumulenes and an activated acetylene
• Authors of publication: Mitsumoto, Yuhki; Nitta, Makoto
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 2268
• a: 17.021 ± 0.006 Å
• b: 8.864 ± 0.005 Å
• c: 15.78 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2380.8 ± 1.8 ų
• Cell temperature: 250 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.581
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No