Information card for entry 7161108

Structure parameters

• Formula: C8 H12 I2 O
• Calculated formula: C8 H12 I2 O
• Title of publication: Cyclooctadiene-Derived Cage-Divergent Synthesis of Heteroadamantanes and Alternative Polycyclic Systems
• Authors of publication: Lysenko, Vladyslav; Popov, Ioann O.; Slobodyanyuk, Evgeniy Y.; Rusanov, Eduard; Pashenko, Olexandr Ye.; Volochnyuk, Dmitriy M.; Ryabukhin, Serhiy V.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 19.158 ± 0.0008 Å
• b: 5.3842 ± 0.0002 Å
• c: 13.0363 ± 0.0006 Å
• α: 90°
• β: 128.734 ± 0.004°
• γ: 90°
• Cell volume: 1048.95 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No