Information card for entry 7225327

Structure parameters

• Formula: C26 H18 Br2 N2 O3
• Calculated formula: C26 H18 Br2 N2 O3
• SMILES: Brc1ccc([C@@H]2C3([C@H](c4ccc(Br)cc4)N4C(=O)CCN24)C(=O)c2c(C3=O)cccc2)cc1.Brc1ccc([C@H]2C3([C@@H](c4ccc(Br)cc4)N4C(=O)CCN24)C(=O)c2c(C3=O)cccc2)cc1
• Title of publication: Diastereoselective synthesis of spiro[indene-2,2'-pyrazolo[1,2-a]pyrazoles] and spiro[indoline-3,2'-pyrazolo[1,2-a]pyrazoles] via 1,3-dipolar cycloaddition
• Authors of publication: Lu, Yu-Ling; Sun, Jing; Jiang, Yan-Hong; Yan, Chao Guo
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.345 ± 0.003 Å
• b: 11.391 ± 0.004 Å
• c: 12.452 ± 0.004 Å
• α: 115.544 ± 0.01°
• β: 102.578 ± 0.01°
• γ: 97.067 ± 0.011°
• Cell volume: 1131.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No