Information card for entry 2007740

Structure parameters

• Chemical name: 4-Hydroxy-3-Methoxycarbonyl-2-Dimethoxyphosphoryl-2H-1-Benzopyran
• Formula: C13 H15 O7 P
• Calculated formula: C13 H15 O8 P
• Title of publication: 2<i>H</i>-1-Benzopyrans. III. 4-Hydroxy-3-methoxycarbonyl-2-dimethoxyphosphoryl-2<i>H</i>-1-benzopyran
• Authors of publication: Olszak, Tomasz A.; Grabowski, Mieczysław J.; Modranka, R.; Kostka, K.; Olszak, Agnieszka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1459 - 1461
• a: 9.0038 ± 0.0006 Å
• b: 12.413 ± 0.0005 Å
• c: 6.6728 ± 0.0008 Å
• α: 96.458 ± 0.006°
• β: 99.231 ± 0.008°
• γ: 75.48 ± 0.004°
• Cell volume: 710.57 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.142
• Weighted residual factors for significantly intense reflections: 0.139
• Goodness-of-fit parameter for all reflections: 1.142
• Goodness-of-fit parameter for significantly intense reflections: 1.231
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No