Information card for entry 4515386

Structure parameters

• Formula: C39 H31 N O2
• Calculated formula: C39 H31 N O2
• SMILES: c1cccc2C(=O)C(=Cc3ccc4c5ccc(cc5C(CC)(CC)c4c3)N(c3ccccc3)c3ccccc3)C(=O)c12
• Title of publication: General and Scalable Approach to Bright, Stable, and Functional AIE Fluorogen Colloidal Nanocrystals for in Vivo Imaging.
• Authors of publication: Yan, Xibo; Remond, Maxime; Zheng, Zheng; Hoibian, Elsa; Soulage, Christophe; Chambert, Stéphane; Andraud, Chantal; Van der Sanden, Boudewijn; Ganachaud, François; Bretonnière, Yann; Bernard, Julien
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 25154 - 25165
• a: 8.4123 ± 0.0005 Å
• b: 10.5424 ± 0.0005 Å
• c: 17.0126 ± 0.0007 Å
• α: 77.818 ± 0.004°
• β: 85.519 ± 0.004°
• γ: 72.94 ± 0.005°
• Cell volume: 1409.7 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No