Information card for entry 4516403

Structure parameters

• Formula: C40 H26 F N O3
• Calculated formula: C40 H26 F N O3
• SMILES: Fc1ccc(c(N2C(=O)[C@@H]3[C@]4(C(=O)[C@@]([C@@H]3C2=O)(c2c4c3ccccc3c3ccccc23)c2ccccc2)c2ccccc2)c1)C
• Title of publication: Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors
• Authors of publication: Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3561
• a: 11.924 ± 0.002 Å
• b: 14.177 ± 0.003 Å
• c: 16.742 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2830.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No