Information card for entry 7243827

Structure parameters

• Formula: C29 H15 N5
• Calculated formula: C29 H15 N5
• SMILES: c1ccccc1C(=C\c1cc2ccccc2cc1)\C#N.N#Cc1cc(c(cc1C#N)C#N)C#N
• Title of publication: Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems
• Authors of publication: Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 47
• Pages of publication: 8462 - 8470
• a: 6.95 ± 0.0014 Å
• b: 7.941 ± 0.0016 Å
• c: 21.253 ± 0.004 Å
• α: 96.36 ± 0.03°
• β: 93.79 ± 0.03°
• γ: 101.98 ± 0.03°
• Cell volume: 1135.5 ± 0.4 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: 0.1922
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No