Information card for entry 7231095

Structure parameters

• Chemical name: 1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-(9H-fluoren-9-yl)-1,2,3,4-tetrahydroisoquinoline
• Formula: C29 H29 N5
• Calculated formula: C29 H29 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: 9.7181 ± 0.0005 Å
• b: 11.6016 ± 0.0007 Å
• c: 12.0845 ± 0.0007 Å
• α: 69.98 ± 0.004°
• β: 78.308 ± 0.004°
• γ: 71.223 ± 0.004°
• Cell volume: 1205.45 ± 0.12 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: 0.0888
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No