Information card for entry 7131171

Structure parameters

• Formula: C28 H23 N O2
• Calculated formula: C28 H23 N O2
• SMILES: c1(ccc(cc1)OC)[C@]1(C(=O)N([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1.c1(ccc(cc1)OC)[C@@]1(C(=O)N([C@H]1c1ccccc1)c1ccccc1)c1ccccc1
• 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: 13.66639 ± 0.00016 Å
• b: 17.3063 ± 0.0002 Å
• c: 18.4966 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4374.72 ± 0.09 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No