Information card for entry 1545936

Structure parameters

• Formula: C11 H21 N3
• Calculated formula: C11 H21 N3
• Title of publication: Synthesis and Reactivity of 1-Allenyltriazenes.
• Authors of publication: Jeanbourquin, Loïc N; Scopelliti, Rosario; Fadaei Tirani, Farzaneh; Severin, Kay
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2070 - 2073
• a: 10.4021 ± 0.001 Å
• b: 11.1735 ± 0.0009 Å
• c: 21.729 ± 0.003 Å
• α: 90°
• β: 98 ± 0.011°
• γ: 90°
• Cell volume: 2500.9 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.1303
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2668
• Weighted residual factors for all reflections included in the refinement: 0.3074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No