Information card for entry 4503116

Structure parameters

• Chemical name: N,N,N',N'-tetramethyl-1,3-diaminoadamantane dihydrochloride monohydrate
• Formula: C14 H30 Cl2 N2 O
• Calculated formula: C14 H30 Cl2 N2 O
• Title of publication: The Effect of Environment on Molecular Structure: The Crystalline-State Stereochemistry ofN-Methylated Adamantane 1,3-Diammonium Salts
• Authors of publication: Ergaz, Itzhak; Toscano, Rubén Alfredo; Delgado, Guillermo; Steinberg, Avital; Glaser, Robert
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1399
• a: 17.482 ± 0.002 Å
• b: 22.194 ± 0.002 Å
• c: 9.66 ± 0.001 Å
• α: 90°
• β: 120.173 ± 0.002°
• γ: 90°
• Cell volume: 3240.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No