Information card for entry 7036242

Structure parameters

• Formula: C18 H24 P2
• Calculated formula: C18 H24 P2
• SMILES: Pc1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2
• Title of publication: Spontaneous dehydrocoupling in peri-substituted phosphine-borane adducts.
• Authors of publication: Taylor, Laurence J.; Surgenor, Brian A.; Wawrzyniak, Piotr; Ray, Matthew J.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1976 - 1986
• a: 7.4543 ± 0.0019 Å
• b: 8.4923 ± 0.0015 Å
• c: 14.361 ± 0.005 Å
• α: 79.88 ± 0.03°
• β: 82.1 ± 0.03°
• γ: 66.47 ± 0.02°
• Cell volume: 818.3 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No