Information card for entry 4034334

Structure parameters

• Formula: C35 H44.75 B O2 S3
• Calculated formula: C35 H44.75 B O2 S3
• Title of publication: Fluorescence Switching of Intramolecular Lewis Acid-Base Pairs on a Flexible Backbone.
• Authors of publication: Cao, Yang; Arsenault, Nicole E.; Hean, Duane; Wolf, Michael O.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5394 - 5403
• a: 33.057 ± 0.003 Å
• b: 8.1023 ± 0.0006 Å
• c: 26.4753 ± 0.0018 Å
• α: 90°
• β: 107.952 ± 0.006°
• γ: 90°
• Cell volume: 6745.9 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No