Information card for entry 7061685

Structure parameters

• Formula: C64 H44 N2 O6
• Calculated formula: C64 H44 N2 O6
• SMILES: O(c1cc(N(c2ccccc2)c2ccccc2)ccc1C=C1C(=O)c2ccccc2C1=O)Cc1ccccc1COc1cc(N(c2ccccc2)c2ccccc2)ccc1C=C1C(=O)c2ccccc2C1=O
• Title of publication: Dark to bright fluorescence state by inter-connecting fluorophores: concentration-dependent blue to NIR emission and live cell imaging applications
• Authors of publication: Gayathri, Parthasarathy; Subramaniyan, Siva Bala; Veerappan, Anbazhagan; Anwarhussaini, Syed; Jayanty, Subbalakshmi; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 34
• Pages of publication: 16409 - 16418
• a: 11.796 ± 0.002 Å
• b: 12.213 ± 0.002 Å
• c: 16.518 ± 0.003 Å
• α: 91.35 ± 0.03°
• β: 94.15 ± 0.03°
• γ: 93.85 ± 0.03°
• Cell volume: 2367.1 ± 0.7 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 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: 0.3367
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No