Information card for entry 4022065

Structure parameters

• Formula: C25 H33 B O5
• Calculated formula: C25 H33 B O5
• SMILES: B(O)(O)c1c2Oc3c(C(=O)OC)cc(C(C)(C)C)cc3C(c2cc(C(C)(C)C)c1)(C)C
• Title of publication: Hangman Salen Platforms Containing Two Xanthene Scaffolds
• Authors of publication: Jenny Y. Yang; Julien Bachmann; Daniel G. Nocera
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 8706 - 8714
• a: 9.157 ± 0.007 Å
• b: 11.143 ± 0.01 Å
• c: 12.5 ± 0.011 Å
• α: 77.035 ± 0.014°
• β: 83.053 ± 0.017°
• γ: 79.421 ± 0.018°
• Cell volume: 1217.6 ± 1.8 ų
• Cell temperature: 467 ± 2 K
• Ambient diffraction temperature: 467 ± 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: 0.1935
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No