Information card for entry 1565033

Structure parameters

• Formula: C36 H45 Cl N4 O4
• Calculated formula: C36 H45 Cl N4 O4
• SMILES: Cl(=O)(=O)(=O)[O-].N1(CCN(CC[NH+](CCN(CC1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Exciplex formation as an approach to selective Copper(II) fluorescent sensors
• Authors of publication: Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119544
• a: 17.8371 ± 0.0008 Å
• b: 16.1543 ± 0.0008 Å
• c: 22.5723 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6504.1 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No