Information card for entry 4515968

Structure parameters

• Formula: C27 H18 F2 N2
• Calculated formula: C27 H18 F2 N2
• SMILES: Fc1cc(/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C#N)cc(F)c1
• Title of publication: Distinct Mechanoresponsive Luminescence, Thermochromism, Vapochromism, and Chlorine Gas Sensing by a Solid-State Organic Emitter.
• Authors of publication: Adak, Anirban; Panda, Tamas; Raveendran, Anju; Bejoymohandas, Kochan Sathyaseelan; Asha, K. S.; Prakasham, A. P.; Mukhopadhyay, Balaram; Panda, Manas K.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 5291 - 5300
• a: 9.8032 ± 0.0002 Å
• b: 10.2942 ± 0.0003 Å
• c: 32.2199 ± 0.0008 Å
• α: 84.987 ± 0.001°
• β: 82.061 ± 0.001°
• γ: 79.035 ± 0.001°
• Cell volume: 3155.3 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No