Information card for entry 1515785

Structure parameters

• Formula: C104 H151 N11 O10
• Calculated formula: C104 H151 N11 O10
• SMILES: O=C(Nc1cccc2cc[nH]c12)c1[nH]c2c(c1)cccc2NC(=O)Nc1cccc2c1[nH]c(c2)C(=O)Nc1cccc2c1[nH]cc2.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O
• Title of publication: Acyclic indole and carbazole-based sulfate receptors
• Authors of publication: Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E.
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 215
• a: 8.932 ± 0.0001 Å
• b: 12.45 ± 0.0002 Å
• c: 22.583 ± 0.0004 Å
• α: 93.679 ± 0.0009°
• β: 100.549 ± 0.0012°
• γ: 98.64 ± 0.0011°
• Cell volume: 2429.96 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No