Information card for entry 1555440

Structure parameters

• Formula: C29 H30 Br N3 O
• Calculated formula: C29 H30 Br N3 O
• SMILES: c1ccccc1C1=NN([C@H](CC[C@@]2(c3cccc(Br)c3N(C2=O)C)C)C1(C)C)c1ccccc1.c1ccccc1C1=NN([C@@H](CC[C@]2(c3cccc(Br)c3N(C2=O)C)C)C1(C)C)c1ccccc1
• Title of publication: Hydrazonyl Radical-Participated Tandem Reaction: A Strategy for the Synthesis of Pyrazoline-Functionalized Oxindoles.
• Authors of publication: Duan, Xiao-Yong; Yang, Xiu-Long; Jia, Pan-Pan; Zhang, Man; Han, Bing
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6022 - 6025
• a: 8.9762 ± 0.001 Å
• b: 9.2143 ± 0.001 Å
• c: 15.8055 ± 0.001 Å
• α: 91.311 ± 0.007°
• β: 97.75 ± 0.007°
• γ: 93.388 ± 0.009°
• Cell volume: 1292.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No