Information card for entry 4022272

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: 9.241 ± 0.003 Å
• b: 10.113 ± 0.003 Å
• c: 11.632 ± 0.003 Å
• α: 90°
• β: 95.18 ± 0.02°
• γ: 90°
• Cell volume: 1082.6 ± 0.5 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 2.59
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No