Information card for entry 1502948

Structure parameters

• Formula: C16 H11 N O2
• Calculated formula: C16 H11 N O2
• SMILES: O1N=C(C(=C\c2ccccc2)\C1=O)c1ccccc1
• Title of publication: Gold-catalyzed cyclization and subsequent arylidene group transfer of O-propioloyl oximes.
• Authors of publication: Nakamura, Itaru; Okamoto, Masashi; Terada, Masahiro
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 2453 - 2455
• a: 11.701 ± 0.007 Å
• b: 5.714 ± 0.003 Å
• c: 17.818 ± 0.011 Å
• α: 90°
• β: 96.491 ± 0.009°
• γ: 90°
• Cell volume: 1183.7 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No