Information card for entry 7150637

Structure parameters

• Formula: C48 H59 N5 O3
• Calculated formula: C48 H59 N5 O3
• SMILES: c12ccccc1c1cccc(c1[nH]2)NC(=O)Nc1c2c(ccc1)c1ccccc1[nH]2.C(=O)(c1ccccc1)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Fluorescent carbazolylurea anion receptors
• Authors of publication: Hiscock, Jennifer R.; Caltagirone, Claudia; Light, Mark E.; Hursthouse, Michael B.; Gale, Philip A.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1781 - 1783
• a: 10.98 ± 0.005 Å
• b: 13.774 ± 0.005 Å
• c: 15.173 ± 0.005 Å
• α: 68.76 ± 0.005°
• β: 85.232 ± 0.005°
• γ: 81.541 ± 0.005°
• Cell volume: 2114.5 ± 1.4 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: 0.119
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No