Information card for entry 7205038

Structure parameters

• Formula: C27 H20 As N O
• Calculated formula: C27 H20 As N O
• SMILES: [As](=C(C1C(=O)C=CC=CC=1)C#N)(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: 8.0799 ± 0.0005 Å
• b: 13.4532 ± 0.0007 Å
• c: 9.692 ± 0.0004 Å
• α: 90°
• β: 97.948 ± 0.003°
• γ: 90°
• Cell volume: 1043.41 ± 0.1 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.527
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No