Information card for entry 7112038

Structure parameters

• Formula: C30 H27 Br N2 O7
• Calculated formula: C30 H27 Br N2 O7
• SMILES: Brc1c([C@@H]2[C@]3(NC(=O)c4ccccc4)[C@H](NC2(C(=O)OCC)C(=O)OCC)c2ccccc2OC3=O)cccc1
• Title of publication: An efficient strategy for the synthesis of polysubstituted chromeno[4,3-b]pyrrolidine derivatives
• Authors of publication: Li Tian; Guo-Qiang Xu; Yun-Han Li; Yong-Min Liang; Peng-Fei Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2428
• a: 9.3949 ± 0.0003 Å
• b: 15.4269 ± 0.0005 Å
• c: 19.7387 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2860.81 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0293
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No