Information card for entry 7128054

Structure parameters

• Formula: C46 H30 F10 N4
• Calculated formula: C46 H30 F10 N4
• SMILES: c1(cc2c3cc(cc4c3[nH]c2c(c1)c1nc(=C(c2ccc(C(=c3ccc4n3)c3c(c(c(c(c3F)F)F)F)F)[nH]2)c2c(c(c(c(c2F)F)F)F)F)cc1)C(C)(C)C)C(C)(C)C
• Title of publication: Double intramolecular hydrogen transfer assisted dual emission in a carbazole-embedded porphyrin-like macrocycle.
• Authors of publication: Kalaiselvan, Arumugan; Spergen, Aswini; Krishna, Isukapalli Sai Vamsi; Reddy, Vennapusa Sivaranjana; Gokulnath, Sabapathi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 36
• Pages of publication: 4420 - 4423
• a: 15.1534 ± 0.0015 Å
• b: 11.5996 ± 0.0011 Å
• c: 22.244 ± 0.002 Å
• α: 90°
• β: 99.375 ± 0.003°
• γ: 90°
• Cell volume: 3857.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1284
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No