Information card for entry 1504104

Structure parameters

• Formula: C27 H24 N2 O3
• Calculated formula: C27 H24 N2 O3
• SMILES: o1c2cc(N(C)C)ccc2c2O[C@@]3(N(c4c([C@H](c2c1=O)C3)cccc4)C)c1ccccc1.o1c2cc(N(C)C)ccc2c2O[C@]3(N(c4c([C@@H](c2c1=O)C3)cccc4)C)c1ccccc1
• Title of publication: One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties.
• Authors of publication: Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4064 - 4067
• a: 33.2133 ± 0.0014 Å
• b: 7.9061 ± 0.0003 Å
• c: 17.9377 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4710.2 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No