Information card for entry 7218502

Structure parameters

• Formula: C13 H9 I4 N
• Calculated formula: C13 H9 I4 N
• SMILES: [I-](I)I.Ic1ccc2c[n+]3ccccc3cc2c1
• Title of publication: Solid-state photoreactivity of 9-substituted acridizinium bromide salts
• Authors of publication: Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 10830
• a: 7.5081 ± 0.0003 Å
• b: 10.494 ± 0.0005 Å
• c: 11.7322 ± 0.0006 Å
• α: 105.219 ± 0.002°
• β: 105.581 ± 0.002°
• γ: 101.791 ± 0.002°
• Cell volume: 820.76 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1399
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.3405
• Weighted residual factors for all reflections included in the refinement: 0.3512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No