Information card for entry 2100139

Structure parameters

• Chemical name: N''-cyano-N,N-diisopropylguanidine
• Formula: C8 H16 N4
• Calculated formula: C8 H16 N4
• Title of publication: A helical structure with <i>Z</i>' = 10
• Authors of publication: Hao, Xiang; Chen, Jing; Cammers, Arthur; Parkin, Sean; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: 218 - 226
• a: 20.247 ± 0.002 Å
• b: 18.212 ± 0.002 Å
• c: 27.665 ± 0.003 Å
• α: 90°
• β: 102.94 ± 0.01°
• γ: 90°
• Cell volume: 9942.1 ± 1.9 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• 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: 0.101
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No