Information card for entry 2238626

Structure parameters

• Common name: Dihydrocyclam dimaleate
• Chemical name: 1,4,8,11-Tetraazacyclotetradecane-1,8-diium bis(3-carboxyprop-2-enoate)
• Formula: C18 H32 N4 O8
• Calculated formula: C18 H32 N4 O8
• Title of publication: Dihydrocyclam dimaleate [H~2~(cyclam)(maleate)~2~]
• Authors of publication: Mireille Ninon, Mbonzi Ombenga; Fahim, Mohammed; Lachkar, Mohammed; Marco Contelles, José Luis; Perles, Josefina; El Bali, Brahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1574 - o1575
• a: 8.2925 ± 0.0001 Å
• b: 13.5841 ± 0.0002 Å
• c: 19.2995 ± 0.0003 Å
• α: 90°
• β: 98.797 ± 0.001°
• γ: 90°
• Cell volume: 2148.44 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No