Information card for entry 4023378

Structure parameters

• Formula: C23 H19 N O3
• Calculated formula: C23 H19 N O3
• SMILES: O=C1N(C(C1Oc1ccccc1)=COc1ccccc1)c1ccc(cc1)C
• Title of publication: Selective Synthesis of 4-Alkylidene-β-lactams and N,N'-Diarylamidines from Azides and Aryloxyacetyl Chlorides via a Ketenimine-Participating One-Pot Cascade Process
• Authors of publication: Yun-Yun Yang; Wang-Ge Shou; Deng Hong; Yan-Guang Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 3574 - 3577
• a: 6.7674 ± 0.0008 Å
• b: 11.3499 ± 0.0013 Å
• c: 13.1617 ± 0.0015 Å
• α: 104.469 ± 0.002°
• β: 91.025 ± 0.002°
• γ: 105.824 ± 0.002°
• Cell volume: 937.76 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No