Information card for entry 4026503

Structure parameters

• Formula: C44 H31 Cl2 N O2
• Calculated formula: C44 H31 Cl2 N O2
• SMILES: O=C1N(C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2c2c1c(c1ccccc1c2c1ccccc1)c1ccccc1)c1cccc2cc3ccccc3cc12.C(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: 9.1481 ± 0.0006 Å
• b: 13.7312 ± 0.0009 Å
• c: 14.6068 ± 0.0009 Å
• α: 74.556 ± 0.001°
• β: 73.613 ± 0.001°
• γ: 79.902 ± 0.001°
• Cell volume: 1686.74 ± 0.19 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: 0.0674
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No