Information card for entry 7157542

Structure parameters

• Formula: C20 H14 Cl4 N2 O4
• Calculated formula: C20 H14 Cl4 N2 O4
• Title of publication: Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.
• Authors of publication: Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4971 - 4982
• a: 10.8248 ± 0.0001 Å
• b: 16.4407 ± 0.0001 Å
• c: 12.0407 ± 0.0001 Å
• α: 90°
• β: 109.771 ± 0.001°
• γ: 90°
• Cell volume: 2016.53 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No