Information card for entry 4033506

Structure parameters

• Formula: C42 H30 N6 O3
• Calculated formula: C42.048 H29.952 N6 O2.952
• Title of publication: Cu(OAc)₂ Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.
• Authors of publication: Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 2361 - 2368
• a: 5.9308 ± 0.0011 Å
• b: 15.169 ± 0.003 Å
• c: 17.477 ± 0.003 Å
• α: 90°
• β: 95.622 ± 0.005°
• γ: 90°
• Cell volume: 1564.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No