Information card for entry 7124299

Structure parameters

• Formula: C16 H13 Cl2 N O
• Calculated formula: C16 H13 Cl2 N O
• Title of publication: Highly Stereoselective Intramolecular Buchner Reaction of Diazoacetamides Catalyzed by a Ru(II)-Pheox Complex
• Authors of publication: Phan Thi Thanh , Nga; Tone, Masaya; Inoue, Hayato; Fujisawa, Ikuhide; Iwasa, Seiji
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 5.7489 ± 0.0004 Å
• b: 10.8111 ± 0.0007 Å
• c: 22.1649 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1377.59 ± 0.16 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0422
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No