Information card for entry 1506741

Structure parameters

• Formula: C18 H26 Cl2 N2 O2
• Calculated formula: C18 H26 Cl2 N2 O2
• SMILES: Cl[C@H]1[C@H]2N(C(=O)[C@H]3[C@@H]1N(CCCC)C(=O)[C@@H]2C=C[C@H]3Cl)CCCC.Cl[C@@H]1[C@@H]2N(C(=O)[C@@H]3[C@H]1N(CCCC)C(=O)[C@H]2C=C[C@@H]3Cl)CCCC
• Title of publication: Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.
• Authors of publication: Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 24
• Pages of publication: 5413 - 5415
• a: 14.174 ± 0.002 Å
• b: 11.5857 ± 0.0017 Å
• c: 12.0325 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1975.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No