Information card for entry 4022271

Structure parameters

• Formula: ?
• Calculated formula: C36 H60 I4 O8
• Title of publication: On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates
• Authors of publication: Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 8481 - 8488
• a: 8.354 ± 0.002 Å
• b: 18.62 ± 0.007 Å
• c: 6.798 ± 0.004 Å
• α: 89°
• β: 89°
• γ: 90°
• Cell volume: 1057 ± 1 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No