Information card for entry 4026504

Structure parameters

• Formula: C43 H29 N O2
• Calculated formula: C43 H29 N O2
• SMILES: O=C1N(C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2c2c1c(c1ccccc1c2c1ccccc1)c1ccccc1)c1cc2cc3ccccc3cc2cc1
• 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: 9.2633 ± 0.0007 Å
• b: 12.7857 ± 0.0008 Å
• c: 13.783 ± 0.001 Å
• α: 74.876 ± 0.006°
• β: 72.754 ± 0.007°
• γ: 79.222 ± 0.006°
• Cell volume: 1494.35 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1049
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No