Information card for entry 7231098

Structure parameters

• Chemical name: 5-(1-(9H-fluoren-9-yl)pyrrolidin-2-yl)-1-(2,6-dimethylphenyl)-1H-tetrazole
• Formula: C26 H25 N5
• Calculated formula: C26 H25 N5
• Title of publication: C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
• Authors of publication: Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 3463
• a: 10.7702 ± 0.0004 Å
• b: 13.9788 ± 0.0004 Å
• c: 15.802 ± 0.0006 Å
• α: 90°
• β: 109.391 ± 0.004°
• γ: 90°
• Cell volume: 2244.11 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No