Information card for entry 7218504

Structure parameters

• Formula: C34 H38 Br2 N2 O
• Calculated formula: C34 H38 Br2 N2 O
• 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: 7.7034 ± 0.0007 Å
• b: 9.141 ± 0.001 Å
• c: 12.257 ± 0.002 Å
• α: 88.73 ± 0.006°
• β: 78.321 ± 0.006°
• γ: 71.486 ± 0.004°
• Cell volume: 800.66 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No