Information card for entry 4033800

Structure parameters

• Formula: C26 H23 F N2 O4
• Calculated formula: C26 H23 F N2 O4
• SMILES: Fc1ccc(C2=NN([C@H](c3ccccc3)CC2(C(=O)OC)C(=O)OC)c2ccccc2)cc1
• Title of publication: Stereospecific Copper(II)-Catalyzed Tandem Ring Opening/Oxidative Alkylation of Donor-Acceptor Cyclopropanes with Hydrazones: Synthesis of Tetrahydropyridazines.
• Authors of publication: Mishra, Manmath; De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 10901 - 10910
• a: 10.2417 ± 0.0018 Å
• b: 10.911 ± 0.002 Å
• c: 20.105 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2246.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No