Information card for entry 7236221

Structure parameters

• Common name: Hamada_167_19_10_15
• Formula: C30 H19 Cl4 N5 O2
• Calculated formula: C30 H19 Cl4 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: 17.2707 ± 0.0005 Å
• b: 26.2035 ± 0.0008 Å
• c: 12.8526 ± 0.0004 Å
• α: 90°
• β: 98.014 ± 0.002°
• γ: 90°
• Cell volume: 5759.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.1869
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.3199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No