Information card for entry 7059487

Structure parameters

• Chemical name: 9.(I3)2
• Formula: C13 H13 I3 N2
• Calculated formula: C13 H13 I3 N2
• Title of publication: One step conversion of 1,5-bis(dimethylamino)naphthalene to salts of “back to back” bis-acridine derivatives
• Authors of publication: Yang, Songjie; Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 23
• Pages of publication: 9621 - 9625
• a: 9.0754 ± 0.0006 Å
• b: 9.9135 ± 0.0007 Å
• c: 9.9267 ± 0.0006 Å
• α: 69.799 ± 0.006°
• β: 77.933 ± 0.006°
• γ: 67.701 ± 0.006°
• Cell volume: 772.34 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No