Information card for entry 2021641

Structure parameters

• Chemical name: 1,2-Bis(1-azabicyclo[2.2.2]oct-3-ylidene)hydrazine
• Formula: C14 H22 N4
• Calculated formula: C14 H22 N4
• SMILES: N12C/C(=N\N=C3/CN4CCC3CC4)C(CC2)CC1
• Title of publication: Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride
• Authors of publication: Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 19.7143 ± 0.0013 Å
• b: 6.6047 ± 0.0004 Å
• c: 9.9924 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1301.08 ± 0.14 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes