Information card for entry 4025160

Structure parameters

• Formula: C15 H14 O5
• Calculated formula: C15 H14 O5
• Title of publication: Synthesis of the Oxepinochromone Natural Products Ptaeroxylin (Desoxykarenin), Ptaeroxylinol, and Eranthin
• Authors of publication: Marjorie Bruder; Paul L. Haseler; Marina Muscarella; William Lewis; Christopher J. Moody
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 353 - 358
• a: 4.3828 ± 0.0006 Å
• b: 16.726 ± 0.002 Å
• c: 17.199 ± 0.002 Å
• α: 83.172 ± 0.002°
• β: 85.081 ± 0.002°
• γ: 86.689 ± 0.002°
• Cell volume: 1245.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0975
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No