Information card for entry 4034472

Structure parameters

• Formula: C23 H16 Cl N O2
• Calculated formula: C23 H16 Cl N O2
• SMILES: Clc1cc2C(=C(C3(NC(=O)OC3)c2cc1)c1ccccc1)c1ccccc1
• Title of publication: Spiro[indene-1,4'-oxa-zolidinones] Synthesis via Rh(III)-Catalyzed Coupling of 4-Phenyl-1,3-oxazol-2(3<i>H</i>)-ones with Alkynes: A Redox-Neutral Approach.
• Authors of publication: Liu, Zhongsu; Zhang, Wenjing; Guo, Shan; Zhu, Jin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 18
• Pages of publication: 11945 - 11957
• a: 9.1946 ± 0.0002 Å
• b: 13.3206 ± 0.0004 Å
• c: 15.4255 ± 0.0004 Å
• α: 85.066 ± 0.001°
• β: 83.434 ± 0.001°
• γ: 76.486 ± 0.001°
• Cell volume: 1821.48 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No