Information card for entry 2008661

Structure parameters

• Chemical name: 3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride
• Formula: C12 H26 Cl2 N4
• Calculated formula: C12 H26 Cl2 N4
• SMILES: C1C[N+]2(CCN1)CC[N+]1(CCNCC1)CC2.[Cl-].[Cl-]
• Title of publication: 3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride from X-ray powder data
• Authors of publication: Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1099 - 1101
• a: 9.684 ± 0.003 Å
• b: 9.479 ± 0.003 Å
• c: 8.156 ± 0.003 Å
• α: 90°
• β: 95.33 ± 0.02°
• γ: 90°
• Cell volume: 745.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 2.33
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No