Information card for entry 7232351

Structure parameters

• Chemical name: Benzo[c]cinnoline + 1,4-Tetrafluorobenzene
• Formula: C18 H8 F4 I2 N2
• Calculated formula: C18 H8 F4 I2 N2
• 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: 4.4893 ± 0.0002 Å
• b: 15.5665 ± 0.0005 Å
• c: 24.4653 ± 0.0009 Å
• α: 90°
• β: 92.894 ± 0.002°
• γ: 90°
• Cell volume: 1707.52 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No