Information card for entry 7122627

Structure parameters

• Chemical name: 2,3-bis(4-(5H-dibenzo[b,f]azepin-5-yl)phenyl)quinoxaline
• Formula: C9.6 H6.4 N0.8
• Calculated formula: C9.6 H6.4 N0.8
• Title of publication: An iminodibenzyl-quinoxaline-iminodibenzyl scaffold as a mechanochromic and dual emitter: donor and bridge effects on optical properties.
• Authors of publication: Pashazadeh, Ramin; Pander, Piotr; Bucinskas, Audrius; Skabara, Peter J.; Dias, Fernando B.; Grazulevicius, Juozas V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 98
• Pages of publication: 13857 - 13860
• a: 12.135 ± 0.004 Å
• b: 12.225 ± 0.003 Å
• c: 17.067 ± 0.004 Å
• α: 78.98 ± 0.02°
• β: 81.21 ± 0.02°
• γ: 67.65 ± 0.03°
• Cell volume: 2289.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1816
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No