Information card for entry 4515934

Structure parameters

• Formula: C21 H24 N2 O5
• Calculated formula: C21 H24 N2 O5
• SMILES: c1(cc(ccc1NC(=O)OC)OC)/C(CC)=C(\NC(=O)OC)c1ccccc1
• Title of publication: Ru(II)-Catalyzed Oxidative Functionalization of Arylhydrazine-1,2-dicarboxylates with Internal Alkynes for the Synthesis of Enecarbamates.
• Authors of publication: Reddy, Chatrala Ravikumar; Sridhar, Balasubramanian; V Subba Reddy, Basi
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 9746 - 9753
• a: 8.9744 ± 0.0008 Å
• b: 9.5414 ± 0.0009 Å
• c: 11.6948 ± 0.001 Å
• α: 95.027 ± 0.002°
• β: 97.388 ± 0.001°
• γ: 96.992 ± 0.001°
• Cell volume: 980.27 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No