Information card for entry 1515786

Structure parameters

• Formula: C67 H99 N10 O7 P
• Calculated formula: C67 H99 N10 O7 P
• SMILES: [O-]P(=O)(O)[O-].O=C(Nc1cccc2c1[nH]c(c2)C(=O)Nc1cccc2c1[nH]cc2)Nc1cccc2c1[nH]c(c2)C(=O)Nc1cccc2c1[nH]cc2.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
• 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: 14.786 ± 0.0006 Å
• b: 17.7836 ± 0.0006 Å
• c: 25.6491 ± 0.001 Å
• α: 90°
• β: 103.512 ± 0.002°
• γ: 90°
• Cell volume: 6557.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2672
• Residual factor for significantly intense reflections: 0.1595
• Weighted residual factors for significantly intense reflections: 0.2338
• Weighted residual factors for all reflections included in the refinement: 0.2775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No