Information card for entry 7238905

Structure parameters

• Formula: C20 H20 Br O3 P
• Calculated formula: C20 H20 Br O3 P
• Title of publication: Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties
• Authors of publication: Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 4001
• a: 21.51 ± 0.003 Å
• b: 5.6451 ± 0.0008 Å
• c: 14.508 ± 0.002 Å
• α: 90°
• β: 100.285 ± 0.003°
• γ: 90°
• Cell volume: 1733.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No