Information card for entry 7231096

Structure parameters

• Chemical name: 5-(1-(9H-fluoren-9-yl)pyrrolidin-2-yl)-1-tert-butyl-1H-tetrazole
• Formula: C22 H25 N5
• Calculated formula: C22 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: 8.154 ± 0.0014 Å
• b: 14.767 ± 0.002 Å
• c: 16.628 ± 0.003 Å
• α: 90.056 ± 0.011°
• β: 100.409 ± 0.011°
• γ: 90.188 ± 0.011°
• Cell volume: 1969.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1677
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.2542
• Weighted residual factors for all reflections included in the refinement: 0.3007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No