Information card for entry 1503106

Structure parameters

• Formula: C58 H34 F2 O4
• Calculated formula: C58 H34 F2 O4
• SMILES: Fc1ccc([C@]2(O)N(Cc3c4ccc5c6c4c(cc3)ccc6ccc5)C(=O)c3c2cc2c(c3)[C@](O)(N(Cc3c4c5c(cc3)ccc3c5c(cc4)ccc3)C2=O)c2ccc(F)cc2)cc1
• 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: 9.124 ± 0.0003 Å
• b: 12.5563 ± 0.0005 Å
• c: 15.4232 ± 0.0005 Å
• α: 108.753 ± 0.003°
• β: 100.834 ± 0.003°
• γ: 98.211 ± 0.003°
• Cell volume: 1603.59 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1221
• Residual factor for significantly intense reflections: 0.1104
• Weighted residual factors for significantly intense reflections: 0.3098
• Weighted residual factors for all reflections included in the refinement: 0.3192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No