Information card for entry 4020500

Structure parameters

• Formula: C10 H15 Cl O
• Calculated formula: C10 H15 Cl O
• SMILES: ClC1[C@H]2CC3CC(O)(C[C@H]1C3)C2.ClC1[C@@H]2CC3CC(O)(C[C@@H]1C3)C2
• Title of publication: Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate
• Authors of publication: María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7919 - 7924
• a: 23.604 ± 0.004 Å
• b: 23.604 ± 0.004 Å
• c: 13.515 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7530 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No