Information card for entry 7131170

Structure parameters

• Formula: C20 H19 N O6
• Calculated formula: C20 H19 N O6
• SMILES: O=N(=O)c1ccc(C2(OC(=CC2=O)OC(C)C)c2ccc(OC)cc2)cc1
• Title of publication: Catalyst-free diazo cross-coupling to access useful 3(2<i>H</i>)-furanone derivatives.
• Authors of publication: Sasane, Amit Vijay; Liu, Rai-Shung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 8
• Pages of publication: 1086 - 1089
• a: 6.4622 ± 0.0004 Å
• b: 10.4948 ± 0.0008 Å
• c: 14.12 ± 0.001 Å
• α: 86.413 ± 0.003°
• β: 89.241 ± 0.003°
• γ: 73.335 ± 0.003°
• Cell volume: 915.58 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No