Information card for entry 4109316

Structure parameters

• Formula: C18 H14 O
• Calculated formula: C18 H14 O
• Title of publication: Intramolecular Anionic Diels-Alder Reactions of 1-Aryl-4-oxahepta-1,6-diyne Systems in DMSO
• Authors of publication: Takayuki Kudoh; Tomoko Mori; Mitsuhito Shirahama; Masashi Yamada; Teruhiko Ishikawa; Seiki Saito; Hisayoshi Kobayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4939 - 4947
• a: 9.262 ± 0.0007 Å
• b: 17.608 ± 0.002 Å
• c: 7.774 ± 0.0006 Å
• α: 89.996 ± 0.007°
• β: 90.668 ± 0.007°
• γ: 89.993 ± 0.007°
• Cell volume: 1267.7 ± 0.2 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 12.468
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No