Information card for entry 4022064

Structure parameters

• Formula: C31 H34 O5
• Calculated formula: C31 H34 O5
• 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: 9.7828 ± 0.0009 Å
• b: 9.8015 ± 0.0009 Å
• c: 15.3502 ± 0.0014 Å
• α: 78.978 ± 0.002°
• β: 82.309 ± 0.002°
• γ: 68.047 ± 0.002°
• Cell volume: 1336.8 ± 0.2 ų
• Cell temperature: 467 ± 2 K
• Ambient diffraction temperature: 467 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No