Information card for entry 2240225

Structure parameters

• Common name: bis{2-[Diphenyl(selanylidene)phosphanyl]phenyl} ether
• Chemical name: (2-{2-[Diphenyl(selanylidene)phosphanyl]phenoxy}phenyl)diphenyl-λ^5^-phosphaneselone
• Formula: C36 H28 O P2 Se2
• Calculated formula: C36 H28 O P2 Se2
• SMILES: O(c1c(P(=[Se])(c2ccccc2)c2ccccc2)cccc1)c1c(P(c2ccccc2)(c2ccccc2)=[Se])cccc1
• Title of publication: Crystal structures of bis[2-(diphenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphanyl]phenyl} ether
• Authors of publication: Janzen, Daron E.; Kooyman, Arianna M.; Lange, Kayla A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 536 - 540
• a: 14.0964 ± 0.0015 Å
• b: 13.0854 ± 0.0013 Å
• c: 17.5918 ± 0.0018 Å
• α: 90°
• β: 109.226 ± 0.008°
• γ: 90°
• Cell volume: 3064 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes