Information card for entry 7117431

Structure parameters

• Formula: C26 H21 N O
• Calculated formula: C26 H21 N O
• SMILES: O[C@H](c1ccccc1)[C@@H](/N=C/c1c2c3c(cc1)ccc1c3c(cc2)ccc1)C.O[C@@H](c1ccccc1)[C@H](/N=C/c1c2c3c(cc1)ccc1c3c(cc2)ccc1)C
• Title of publication: Lysine triggered ratiometric conversion of dynamic to static excimer of a pyrene derivative: aggregation-induced emission, nanomolar detection and human breast cancer cell (MCF7) imaging
• Authors of publication: Ghosh, Abhijit; Sengupta, Archya; Chattopadhyay, Ansuman; Das, Debasis
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 57
• Pages of publication: 11455 - 11458
• a: 28.0546 ± 0.0017 Å
• b: 9.681 ± 0.0005 Å
• c: 15.0716 ± 0.0008 Å
• α: 90°
• β: 109.781 ± 0.006°
• γ: 90°
• Cell volume: 3851.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7117413
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No