Information card for entry 7232354

Structure parameters

• Common name: Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene
• Chemical name: Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene
• Formula: C46 H30 F4 I2
• Calculated formula: C46 H30 F4 I2
• Title of publication: Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions
• Authors of publication: Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 1940
• a: 13.9639 ± 0.0005 Å
• b: 9.2151 ± 0.0003 Å
• c: 28.0322 ± 0.0009 Å
• α: 90°
• β: 98.66 ± 0.001°
• γ: 90°
• Cell volume: 3566 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No