Information card for entry 2100207

Structure parameters

• Chemical name: (4-chlorophenoxy) acetic acid/beta-Cyclodextrin complex
• Formula: C50 H77 Cl O55.25
• Calculated formula: C50 H45 Cl O55.2
• Title of publication: Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin
• Authors of publication: Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: 207 - 217
• a: 18.998 ± 0.009 Å
• b: 24.82 ± 0.01 Å
• c: 16.662 ± 0.007 Å
• α: 90°
• β: 105.29 ± 0.03°
• γ: 90°
• Cell volume: 7579 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.2023
• Residual factor for significantly intense reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.3139
• Weighted residual factors for all reflections included in the refinement: 0.3988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.457
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No