Information card for entry 7217031

Structure parameters

• Formula: C21 H20 F3 N2 O3.5
• Calculated formula: C21 H20 F3 N2 O3.5
• SMILES: C123c4ccccc4CC[C@@H]1[C@H](C(C(=O)N2)C(=O)N3)c1c(cccc1)C(F)(F)F.C123c4ccccc4CC[C@H]1[C@@H](C(C(=O)N2)C(=O)N3)c1c(cccc1)C(F)(F)F.O.O.O
• Title of publication: Four component domino reaction for the synthesis of highly functionalized dimeric tetracyclic dilactam fluorophores: H-bond aided self-assembly
• Authors of publication: Ramachandran, G.; Raman, A.; Easwaramoorthi, S.; Rathore, R. S.; Sathiyanarayanan, K.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 55
• Pages of publication: 29276
• a: 10.0111 ± 0.0006 Å
• b: 11.8131 ± 0.0007 Å
• c: 16.4284 ± 0.0009 Å
• α: 84.685 ± 0.002°
• β: 88.79 ± 0.003°
• γ: 83.889 ± 0.003°
• Cell volume: 1923.39 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1579
• 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