Information card for entry 2010688

Structure parameters

• Chemical name: N-(diphenylphosphinoselenoyl)-P,P-diphenyl- tetrahydrofuran solvate
• Formula: C28 H29 N O P2 Se2
• Calculated formula: C28 H29 N O P2 Se2
• SMILES: c1(ccccc1)P(=[Se])(c1ccccc1)NP(c1ccccc1)(c1ccccc1)=[Se].O1CCCC1
• Title of publication: Two tetrahydrofuran solvates of HN(SePPh~2~)~2~
• Authors of publication: Pernin, Christopher G.; Ibers, James A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 376 - 378
• a: 10.121 ± 0.003 Å
• b: 10.121 ± 0.003 Å
• c: 26.118 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2675.4 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No