Information card for entry 1544240

Structure parameters

• Common name: eisrs02
• Formula: C23 H23 F6 N2 O P
• Calculated formula: C23 H23 F6 N2 O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[o+]1c2cc(N(C)C)ccc2c(c2c1cc(N(C)C)cc2)c1ccccc1
• Title of publication: A comparative study of the photophysics of phenyl, thienyl, and chalcogen substituted rhodamine dyes.
• Authors of publication: Sabatini, Randy P.; Mark, Michael F.; Mark, Daniel J.; Kryman, Mark W.; Hill, Jacqueline E.; Brennessel, William W.; Detty, Michael R.; Eisenberg, Richard; McCamant, David W.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2016
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 1417 - 1432
• a: 8.1397 ± 0.0009 Å
• b: 15.2283 ± 0.0016 Å
• c: 18.0213 ± 0.0019 Å
• α: 90°
• β: 102.251 ± 0.002°
• γ: 90°
• Cell volume: 2182.9 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No