Information card for entry 1542668

Structure parameters

• Formula: C42 H32 S
• Calculated formula: C42 H32 S
• SMILES: S1c2c(C3(c4ccccc4C4(c5ccccc5c5c4cccc5)c4c3cccc4)c3cc(cc(CC)c13)CC)cccc2
• Title of publication: Synthesis of Spirocyclic Diarylfluorenes by One-Pot Twofold SNAr Reactions of Diaryl Sulfones with Diarylmethanes.
• Authors of publication: Bhanuchandra, M.; Yorimitsu, Hideki; Osuka, Atsuhiro
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 384 - 387
• a: 8.317 ± 0.0015 Å
• b: 16.04 ± 0.003 Å
• c: 23.373 ± 0.005 Å
• α: 108.62 ± 0.006°
• β: 98.945 ± 0.007°
• γ: 90.295 ± 0.005°
• Cell volume: 2913.9 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0612
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No