Information card for entry 4103762

Structure parameters

• Common name: (cyclohexylNH3)2og
• Formula: C18 H34 N4 O6
• Calculated formula: C18 H34 N4 O6
• SMILES: C(=O)(C(=O)NCC(=O)[O-])NCC(=O)[O-].C1(CCCCC1)[NH3+].C1(CCCCC1)[NH3+]
• Title of publication: Weak Interactions Dominating the Supramolecular Self-Assembly in a Salt: A Designed Single-Crystal-to-Single-Crystal Topochemical Polymerization of a Terminal Aryldiacetylene
• Authors of publication: Zhong Li; Frank W. Fowler; Joseph W. Lauher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 634 - 643
• a: 5.0552 ± 0.0015 Å
• b: 9.651 ± 0.003 Å
• c: 11.101 ± 0.003 Å
• α: 81.894 ± 0.006°
• β: 81.684 ± 0.006°
• γ: 83.687 ± 0.005°
• Cell volume: 528.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0745
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No