Information card for entry 4519310

Structure parameters

• Chemical name: CQM
• Formula: C34 H24 N2
• Calculated formula: C34 H24 N2
• SMILES: n1c(cc(c2ccccc2)c2c1c(n1c3ccccc3c3c1cccc3)ccc2C)c1ccccc1
• 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: 22.7897 ± 0.0016 Å
• b: 11.5629 ± 0.0011 Å
• c: 18.4891 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4872.2 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No