Information card for entry 7153649

Structure parameters

• Common name: gamma-lactam
• Formula: C39 H31 N2 O7 P S
• Calculated formula: C39 H31 N2 O7 P S
• SMILES: C1(=O)C(C(=C(c2ccc(cc2)N(=O)=O)N1S(=O)(=O)c1ccc(cc1)C)/C=C/C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines.
• Authors of publication: Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 162 - 170
• a: 10.7329 ± 0.0004 Å
• b: 16.5196 ± 0.0006 Å
• c: 19.3778 ± 0.0008 Å
• α: 90°
• β: 101.241 ± 0.001°
• γ: 90°
• Cell volume: 3369.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No