Information card for entry 2011170

Structure parameters

• Chemical name: Dicyclohexylammonium) 2,4-dichlorophenoxyacetate
• Formula: C20 H29 Cl2 N O3
• Calculated formula: C20 H29 Cl2 N O3
• SMILES: Clc1c(OCC(=O)[O-])ccc(Cl)c1.[NH2+](C1CCCCC1)C1CCCCC1
• Title of publication: Dicyclohexylammonium 2,4-dichlorophenoxyacetate and (2,4-dichlorophenoxyacetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)
• Authors of publication: Subramanian, Ramis Rao; Anandan, Shanmuga S.; Kwek, Kuan Hiang; Low, Kum Sang; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hanna, John V.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: e292 - e294
• a: 13.3847 ± 0.0001 Å
• b: 18.2966 ± 0.0003 Å
• c: 8.978 ± 0.0001 Å
• α: 90°
• β: 105.296 ± 0.001°
• γ: 90°
• Cell volume: 2120.78 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes