Information card for entry 1504105

Structure parameters

• Formula: C25 H26 N2 O3
• Calculated formula: C25 H26 N2 O3
• SMILES: o1c2cc(N(C)C)ccc2c2O[C@H]3N([C@H]4C[C@@](c2c1=O)([C@@H]3c1c4cccc1)C)CC.o1c2cc(N(C)C)ccc2c2O[C@@H]3N([C@@H]4C[C@](c2c1=O)([C@H]3c1c4cccc1)C)CC
• 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: 9.0795 ± 0.0009 Å
• b: 11.1502 ± 0.0011 Å
• c: 11.7893 ± 0.0011 Å
• α: 65.448 ± 0.002°
• β: 88.094 ± 0.002°
• γ: 78.917 ± 0.002°
• Cell volume: 1063.91 ± 0.18 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No