Information card for entry 7245227

Structure parameters

• Formula: C19 H13 I2 N O
• Calculated formula: C18.9994 H12.9994 I2.0001 N O0.9994
• Title of publication: Structure–property investigations in urea tethered iodinated triphenylamines
• Authors of publication: Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 9.7182 ± 0.0003 Å
• b: 8.0639 ± 0.0002 Å
• c: 11.5611 ± 0.0003 Å
• α: 90°
• β: 107.391 ± 0.0009°
• γ: 90°
• Cell volume: 864.59 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No