Information card for entry 4340605

Structure parameters

• Formula: C27 H34 P2 S2
• Calculated formula: C27 H34 P2 S2
• SMILES: S=P(c1ccc2c3c(ccc(P(=S)(C(C)C)c4ccccc4)c13)CC2)(C(C)C)C(C)C
• Title of publication: Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.
• Authors of publication: Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8795 - 8808
• a: 8.5216 ± 0.0016 Å
• b: 9.8317 ± 0.0018 Å
• c: 16.798 ± 0.004 Å
• α: 96.603 ± 0.007°
• β: 93.163 ± 0.007°
• γ: 113.597 ± 0.008°
• Cell volume: 1273.2 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No