Information card for entry 4123264

Structure parameters

• Formula: C35 H41 F Sn
• Calculated formula: C35 H41 F Sn
• SMILES: [Sn](c1cc2ccccc2c2c1c1c(cc(F)cc1)C2c1ccccc1)(CCCC)(CCCC)CCCC
• Title of publication: Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.
• Authors of publication: Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 3
• Pages of publication: 1165 - 1180
• a: 10.2472 ± 0.0009 Å
• b: 10.9518 ± 0.001 Å
• c: 15.1137 ± 0.0013 Å
• α: 106.828 ± 0.001°
• β: 97.975 ± 0.001°
• γ: 110.009 ± 0.001°
• Cell volume: 1471.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No