Information card for entry 7128948

Structure parameters

• Formula: C27 H29 N O7
• Calculated formula: C27 H29 N O7
• SMILES: O1c2ccccc2[C@H]2NC(C[C@H]2[C@@H]1/C=C/C(=O)OCc1ccccc1)(C(=O)OCC)C(=O)OCC.O1c2ccccc2[C@@H]2NC(C[C@@H]2[C@H]1/C=C/C(=O)OCc1ccccc1)(C(=O)OCC)C(=O)OCC
• Title of publication: Phosphine-catalyzed sequential (2+3)/(2+4) annulation of γ-vinyl allenoates: access to the synthesis of chromeno[4,3-<i>b</i>]pyrroles.
• Authors of publication: Li, Xiaohu; Huang, You
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 77
• Pages of publication: 9934 - 9937
• a: 10.7992 ± 0.0006 Å
• b: 10.9972 ± 0.0005 Å
• c: 11.7181 ± 0.0007 Å
• α: 93.977 ± 0.004°
• β: 106.212 ± 0.005°
• γ: 112.74 ± 0.005°
• Cell volume: 1207.49 ± 0.13 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.0664
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No