Information card for entry 1507144

Structure parameters

• Formula: C32 H19 N O7
• Calculated formula: C32 H19 N O7
• Title of publication: One-Pot Synthesis of Pyranocoumarins via Microwave-Assisted Pseudo Multicomponent Reactions and Their Molecular Switching Properties.
• Authors of publication: Li, Kuan-Ting; Lin, Yong-Bo; Yang, Ding-Yah
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1190 - 1193
• a: 14.0644 ± 0.0012 Å
• b: 15.0979 ± 0.0012 Å
• c: 15.2279 ± 0.0012 Å
• α: 108.301 ± 0.002°
• β: 91.149 ± 0.002°
• γ: 114.384 ± 0.002°
• Cell volume: 2753.9 ± 0.4 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: 0.1234
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No