Information card for entry 4102221

Structure parameters

• Formula: C16 H20 O2 P2
• Calculated formula: C16 H20 O2 P2
• SMILES: c1(pc2c(o1)cc1c(c2)oc(p1)C(C)(C)C)C(C)(C)C
• Title of publication: Phosphorus Can Also Be a "Photocopy"
• Authors of publication: Marlena P. Washington; Vittal B. Gudimetla; Feng L. Laughlin; Nihal Deligonul; Susan He; John L. Payton; M. Cather Simpson; John D. Protasiewicz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4566 - 4567
• a: 5.4948 ± 0.0005 Å
• b: 7.2202 ± 0.0007 Å
• c: 19.2488 ± 0.0018 Å
• α: 90°
• β: 91.345 ± 0.001°
• γ: 90°
• Cell volume: 763.46 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No