Information card for entry 1552745

Structure parameters

• Formula: C14 H13 I2 N2 O
• Calculated formula: C14 H13 I2 N2 O
• Title of publication: Polymerization Studies of Diiodohexatriyne and Diiodooctatetrayne Cocrystals
• Authors of publication: Freitag, Matthew; DeCicco, Racquel C.; Black, Allison; Ang, Xiuzhu; Young, Christopher N.; Resch, Daniel; Halada, Gary P.; Phillips, Brian L.; Goroff, Nancy S.
• Journal of publication: Macromolecules
• Year of publication: 2019
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 8563
• a: 5.1369 ± 0.0003 Å
• b: 8.324 ± 0.0006 Å
• c: 19.8365 ± 0.001 Å
• α: 90.74 ± 0.005°
• β: 94.177 ± 0.004°
• γ: 96.566 ± 0.005°
• Cell volume: 840.2 ± 0.09 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0279
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No