Information card for entry 4340606

Structure parameters

• Formula: C18 H22 Br P
• Calculated formula: C18 H22 Br P
• SMILES: Brc1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2
• 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: 8.3177 ± 0.0007 Å
• b: 8.6114 ± 0.0007 Å
• c: 22.579 ± 0.0017 Å
• α: 90°
• β: 99.088 ± 0.007°
• γ: 90°
• Cell volume: 1597 ± 0.2 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No