Information card for entry 1506742

Structure parameters

• Formula: C24 H38 Cl2 N2 O2
• Calculated formula: C24 H38 Cl2 N2 O2
• SMILES: [C@@H]1([C@@H]2[C@@H](C=C[C@H]3[C@H]([C@@H]1[NH+]3CCCC)C(=O)N2CCCC)C(CC=C)(CC=C)O)Cl.[Cl-].[C@H]1([C@H]2[C@H](C=C[C@@H]3[C@@H]([C@H]1[NH+]3CCCC)C(=O)N2CCCC)C(CC=C)(CC=C)O)Cl.[Cl-]
• 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: 12.8244 ± 0.0017 Å
• b: 16.1213 ± 0.0018 Å
• c: 12.0929 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2500.2 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No