Information card for entry 4111561

Structure parameters

• Common name: 8-4-8 dicarbamate
• Chemical name: 1,4-bis-(N-octyl-carbamoyloxy)-butane
• Formula: C22 H44 N2 O4
• Calculated formula: C22 H44 N2 O4
• SMILES: C(=O)(NCCCCCCCC)OCCCCOC(=O)NCCCCCCCC
• Title of publication: Structure of and Competitive Adsorption in Alkyl Dicarbamate Two-Dimensional Crystals
• Authors of publication: Kibum Kim; Katherine E. Plass; Adam J. Matzger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 4879 - 4887
• a: 5.005 ± 0.003 Å
• b: 5.366 ± 0.003 Å
• c: 23.115 ± 0.014 Å
• α: 93.744 ± 0.008°
• β: 90.752 ± 0.008°
• γ: 112.698 ± 0.007°
• Cell volume: 571 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1903
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2403
• Weighted residual factors for all reflections included in the refinement: 0.2778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No