Information card for entry 4021826

Structure parameters

• Formula: C19 H21 O4 P
• Calculated formula: C19 H21 O4 P
• SMILES: p1(c(c2CCCc2c1C(=O)OCC)C(=O)OCC)c1ccccc1
• Title of publication: A Convenient Method for the Synthesis of 2,5-Difunctionalized Phospholes Bearing Ester Groups
• Authors of publication: Yoshihiro Matano; Tooru Miyajima; Takashi Nakabuchi; Yuichiro Matsutani; Hiroshi Imahori
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 5792 - 5795
• a: 9.35 ± 0.003 Å
• b: 20.265 ± 0.006 Å
• c: 9.956 ± 0.003 Å
• α: 90°
• β: 113.142 ± 0.0011°
• γ: 90°
• Cell volume: 1734.6 ± 1 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No