Information card for entry 4519309

Structure parameters

• Chemical name: CQN1
• Formula: C34 H21 N3
• Calculated formula: C34 H21 N3
• SMILES: n1c2c(c(c3ccccc3)cc1c1ccccc1)c(C#N)ccc2n1c2c(c3c1cccc3)cccc2
• Title of publication: Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application
• Authors of publication: Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas
• Journal of publication: ACS Omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 3722 - 3730
• a: 5.4935 ± 0.0005 Å
• b: 23.625 ± 0.002 Å
• c: 18.7705 ± 0.0019 Å
• α: 90°
• β: 91.838 ± 0.003°
• γ: 90°
• Cell volume: 2434.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1122
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No