Information card for entry 1517663

Structure parameters

• Formula: C17 H16 N2 O
• Calculated formula: C17 H16 N2 O
• SMILES: O1C2CN(N=C1c1ccccc1)CCc1c2cccc1
• Title of publication: Ring Enlargement Reaction of C,N-Cyclic-N'-acyl Azomethine Imines with Sulfonium Ylide: An Efficient Synthesis of 3-Benzazepine Derivatives.
• Authors of publication: Soeta, Takahiro; Ohgai, Takahiro; Sakai, Takahiro; Fujinami, Shuhei; Ukaji, Yutaka
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4854 - 4857
• a: 8.2359 ± 0.0005 Å
• b: 8.5523 ± 0.0007 Å
• c: 9.8068 ± 0.0007 Å
• α: 82.635 ± 0.005°
• β: 75.399 ± 0.004°
• γ: 78.539 ± 0.005°
• Cell volume: 652.89 ± 0.08 ų
• Cell temperature: 88.2 K
• Ambient diffraction temperature: 88.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.584
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No