Information card for entry 7232355

Structure parameters

• Common name: Benzocinnoline + 1,4-Diiodotetrafluorobenzene
• Chemical name: Benzocinnoline + 1,4-Diiodotetrafluorobenzene
• Formula: C30 H16 F4 I2 N4
• Calculated formula: C30 H16 F4 I2 N4
• 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: 26.714 ± 0.009 Å
• b: 13.423 ± 0.004 Å
• c: 7.556 ± 0.003 Å
• α: 90°
• β: 97.82 ± 0.02°
• γ: 90°
• Cell volume: 2684.2 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.2393
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No