Information card for entry 1503817

Structure parameters

• Formula: C36 H26 O2.5
• Calculated formula: C36 H26 O2.5
• Title of publication: Synthesis of a BDPA-TEMPO biradical.
• Authors of publication: Dane, Eric L.; Maly, Thorsten; Debelouchina, Galia T.; Griffin, Robert G.; Swager, Timothy M.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1871 - 1874
• a: 11.2172 ± 0.0004 Å
• b: 13.4212 ± 0.0004 Å
• c: 19.4882 ± 0.0006 Å
• α: 73.849 ± 0.001°
• β: 80.812 ± 0.001°
• γ: 66.344 ± 0.001°
• Cell volume: 2577.46 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1282
• 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