Information card for entry 7119269

Structure parameters

• Formula: C17 H15 Cl3 N2 O4
• Calculated formula: C17 H15 Cl3 N2 O4
• SMILES: ClC(Cl)Cl.O=C1N(N2C(=O)c3c(cccc3)C2=O)C(=O)C2(CC1(C2)C)C
• Title of publication: A photo-auxiliary approach - enabling excited state classical phototransformations with metal free visible light irradiation.
• Authors of publication: Iyer, Akila; Jockusch, Steffen; Sivaguru, Jayaraman
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1692 - 1695
• a: 7.9596 ± 0.0002 Å
• b: 15.2341 ± 0.0004 Å
• c: 16.7564 ± 0.0005 Å
• α: 110.407 ± 0.001°
• β: 100.757 ± 0.001°
• γ: 97.385 ± 0.001°
• Cell volume: 1829.03 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 102.76 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: 0.0322
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No