Information card for entry 7008001

Structure parameters

• Formula: C4 H3 Cl2 O P
• Calculated formula: C4 H3 Cl2 O P
• SMILES: ClP(Cl)c1occc1
• Title of publication: Synthesis and auration of primary and di-primary heteroaryl-phosphines.
• Authors of publication: Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 247 - 255
• a: 10.4742 ± 0.0003 Å
• b: 18.5825 ± 0.0006 Å
• c: 6.8165 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1326.74 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No