Information card for entry 1501983

Structure parameters

• Formula: C28 H29 N O7
• Calculated formula: C28 H29 N O7
• SMILES: CCOC(=O)/C=C1/Oc2n(Cc3ccccc3)c3c(c2C(C1)(C(=O)OCC)C(=O)OCC)cccc3
• Title of publication: Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate.
• Authors of publication: Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1142 - 1145
• a: 8.912 ± 0.003 Å
• b: 11.563 ± 0.004 Å
• c: 14.488 ± 0.005 Å
• α: 111.421 ± 0.005°
• β: 93.474 ± 0.006°
• γ: 109.002 ± 0.006°
• Cell volume: 1286.5 ± 0.8 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: 0.0718
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No