Information card for entry 4020243

Structure parameters

• Formula: C15 H14 Cl3 N3 O3
• Calculated formula: C15 H14 Cl3 N3 O3
• SMILES: ClC(Cl)(Cl)C(=O)NC(C(=N#N)C(=O)OCC)\C=C\c1ccccc1
• Authors of publication: Weifeng Shi; Fengping Xiao; Jianbo Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4318 - 4322
• a: 10.73 ± 0.002 Å
• b: 19.233 ± 0.004 Å
• c: 8.9878 ± 0.0018 Å
• α: 90°
• β: 94.2 ± 0.03°
• γ: 90°
• Cell volume: 1849.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No