Information card for entry 4023455

Structure parameters

• Common name: N,N'-dioxide 2
• Chemical name: 1,8-Bis(3,3'-(3-t-butyl)-9,9'-diacridyl)naphthalene N,N'-dioxide
• Formula: C46 H44 N2 O3
• Calculated formula: C46 H44 N2 O3
• SMILES: n1(=O)c2c(c(c3c1cc(cc3)C(C)(C)C)c1c3c(c4c5c(n(=O)c6c4cccc6)cc(cc5)C(C)(C)C)cccc3ccc1)cccc2.OCC
• Title of publication: Enantioselective Fluorescence Sensing of Chiral α-Amino Alcohols
• Authors of publication: Shuanglong Liu; John Paul C. Pestano; Christian Wolf
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4267 - 4270
• a: 11.3105 ± 0.001 Å
• b: 11.3912 ± 0.001 Å
• c: 14.7647 ± 0.0013 Å
• α: 89.484 ± 0.002°
• β: 75.542 ± 0.002°
• γ: 77.474 ± 0.002°
• Cell volume: 1796.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No