Information card for entry 7037219

Structure parameters

• Formula: C29 H21 P Se
• Calculated formula: C29 H21 P Se
• SMILES: C1(=CC2(C=C(c3ccccc3)P1(c1c2cccc1)=[Se])c1ccccc1)c1ccccc1
• Title of publication: 2,4,6-Triphenylphosphinine and 2,4,6-triphenylposphabarrelene revisited: synthesis, reactivity and coordination chemistry.
• Authors of publication: Rigo, M.; Sklorz, J. A. W.; Hatje, N.; Noack, F.; Weber, M.; Wiecko, J.; Müller, C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2218 - 2226
• a: 9.8524 ± 0.0002 Å
• b: 12.4381 ± 0.0002 Å
• c: 18.8967 ± 0.0003 Å
• α: 87.7967 ± 0.0007°
• β: 89.7792 ± 0.0008°
• γ: 75.573 ± 0.0006°
• Cell volume: 2240.98 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No