Information card for entry 7225328

Structure parameters

• Formula: C35 H31 N3 O3
• Calculated formula: C35 H31 N3 O3
• SMILES: c1ccccc1CN1C(=O)[C@]2(c3cc(C)ccc13)[C@@H](C(=O)c1ccc(C)cc1)N1C(=O)CCN1[C@H]2c1ccccc1.c1ccccc1CN1C(=O)[C@@]2(c3cc(C)ccc13)[C@H](C(=O)c1ccc(C)cc1)N1C(=O)CCN1[C@@H]2c1ccccc1
• 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: 9.773 ± 0.002 Å
• b: 11.353 ± 0.003 Å
• c: 26.233 ± 0.006 Å
• α: 90°
• β: 100.26 ± 0.008°
• γ: 90°
• Cell volume: 2864.1 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3245
• Residual factor for significantly intense reflections: 0.1198
• Weighted residual factors for significantly intense reflections: 0.304
• Weighted residual factors for all reflections included in the refinement: 0.3689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No