Information card for entry 2208225

Structure parameters

• Chemical name: (Z)-Ethyl 3-(1,3-benzodioxol-5-yl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate
• Formula: C30 H26 N O4 P
• Calculated formula: C30 H26 N O4 P
• SMILES: P(=N/C(=C\c1ccc2OCOc2c1)C(=O)OCC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (<i>Z</i>)-Ethyl 3-(1,3-benzodioxol-5-yl)-2-[(triphenylphosphoranylidene)amino]prop-2-enoate
• Authors of publication: Lai Jiang; Ping Wang; Dong-Jun Jiang; Wei-Ke Su
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o528 - o529
• a: 8.9346 ± 0.001 Å
• b: 10.1613 ± 0.0012 Å
• c: 14.8002 ± 0.0016 Å
• α: 71.628 ± 0.002°
• β: 89.328 ± 0.002°
• γ: 79.94 ± 0.002°
• Cell volume: 1254.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes