Information card for entry 7236223

Structure parameters

• Formula: C30 H21 F2 N5 O2
• Calculated formula: C30 H21 F2 N5 O2
• Title of publication: An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction
• Authors of publication: Behbehani, Haider; Ibrahim, Hamada Mohamed
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 58
• Pages of publication: 52700
• a: 16.9635 ± 0.0011 Å
• b: 22.4316 ± 0.0007 Å
• c: 13.2574 ± 0.0004 Å
• α: 90°
• β: 98.895 ± 0.007°
• γ: 90°
• Cell volume: 4984 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No