Information card for entry 4515933

Structure parameters

• Formula: C24 H30 N2 O4
• Calculated formula: C24 H30 N2 O4
• SMILES: c1(c(cc(c(c1)C)C)/C(=C/c1ccccc1)CCCC)N(C(=O)OC)NC(=O)OC
• 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: 8.0473 ± 0.0006 Å
• b: 11.4044 ± 0.0009 Å
• c: 13.7456 ± 0.0011 Å
• α: 70.394 ± 0.001°
• β: 75.041 ± 0.001°
• γ: 79.862 ± 0.001°
• Cell volume: 1142.53 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No