Information card for entry 1503109

Structure parameters

• Formula: C48 H54 F2 N6 O8
• Calculated formula: C48 H54 F2 N6 O8
• SMILES: Fc1ccc([C@]2(O)N(C(=O)c3cc4c(C(=O)N([C@]4(O)c4ccc(F)cc4)c4ccc(cc4)C)cc23)c2ccc(cc2)C)cc1.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.
• Authors of publication: Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 17
• Pages of publication: 3756 - 3759
• a: 8.572 ± 0.003 Å
• b: 9.6617 ± 0.0015 Å
• c: 13.723 ± 0.002 Å
• α: 93.667 ± 0.013°
• β: 92.869 ± 0.018°
• γ: 96.67 ± 0.017°
• Cell volume: 1124.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No