Information card for entry 2210247

Structure parameters

• Chemical name: Ethyl pamoate
• Formula: C27 H24 O6
• Calculated formula: C27 H24 O6
• SMILES: c1(c(c(c2c(c1)cccc2)Cc1c(c(cc2c1cccc2)C(=O)OCC)O)O)C(=O)OCC
• Title of publication: Ethyl pamoate
• Authors of publication: Ying-Ying Liu; Jian-Fang Ma; Yun-Peng Xie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3786 - o3787
• a: 14.556 ± 0.005 Å
• b: 11.153 ± 0.005 Å
• c: 27.617 ± 0.005 Å
• α: 90°
• β: 93.514 ± 0.005°
• γ: 90°
• Cell volume: 4475 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes