Information card for entry 1555441

Structure parameters

• Formula: C18 H13 N O3
• Calculated formula: C18 H13 N O3
• SMILES: N1(C2(OC(=O)c3c2cccc3)CC(=C)C1=O)c1ccccc1
• Title of publication: Indium-Catalyzed Amide Allylation of N-Carbonyl Imides: Formation of Azaspiro-γ-lactones via Ring Opening-Reclosure.
• Authors of publication: Sengoku, Tetsuya; Murata, Yusuke; Aso, Yuwa; Kawakami, Ai; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 5846 - 5849
• a: 9.2686 ± 0.0015 Å
• b: 16.156 ± 0.003 Å
• c: 9.4109 ± 0.0016 Å
• α: 90°
• β: 95.246 ± 0.002°
• γ: 90°
• Cell volume: 1403.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No