Information card for entry 4026506

Structure parameters

• Formula: C24 H18 Cl3 N O2
• Calculated formula: C24 H18 Cl3 N O2
• SMILES: O=C1N(C(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1)c1ccc2cc3ccccc3cc2c1.C(Cl)(Cl)Cl.O=C1N(C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1)c1ccc2cc3ccccc3cc2c1.C(Cl)(Cl)Cl
• Title of publication: N-1- and N-2-Anthryl Succinimide Derivatives: C-N Bond Rotational Behaviors and Fluorescence Energy Transfer
• Authors of publication: Teh-Chang Chou; Ren-Tsung Wu; Kung-Ching Liao; Chun-Hung Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 6813 - 6818
• a: 14.0259 ± 0.0006 Å
• b: 6.2593 ± 0.0003 Å
• c: 24.8603 ± 0.0011 Å
• α: 90°
• β: 103.114 ± 0.002°
• γ: 90°
• Cell volume: 2125.62 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No