Information card for entry 7121021

Structure parameters

• Formula: C65 H50 N2 O4
• Calculated formula: C65 H50 N2 O4
• Title of publication: A highly fluorescent water soluble spirobifluorene dye with a large Stokes shift: synthesis, characterization and bio-applications.
• Authors of publication: Schlüter, Friederike; Riehemann, Kristina; Kehr, Nermin Seda; Quici, Silvio; Daniliuc, Constantin G.; Rizzo, Fabio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 642 - 645
• a: 14.9397 ± 0.0009 Å
• b: 9.2935 ± 0.0005 Å
• c: 34.6459 ± 0.0018 Å
• α: 90°
• β: 98.609 ± 0.002°
• γ: 90°
• Cell volume: 4756.1 ± 0.5 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1607
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No