Information card for entry 7127605

Structure parameters

• Chemical name: 7,10-bis(4-methoxyphenyl)-8-phenylfluoranthene
• Formula: C36 H26 O2
• Calculated formula: C36 H26 O2
• SMILES: c1ccc2c3c1cccc3c1c(c(cc(c21)c1ccc(cc1)OC)c1ccccc1)c1ccc(cc1)OC
• Title of publication: Diels-Alder reaction of tetraarylcyclopentadienones with benzo[b]thiophene S,S-dioxides: an unprecedented de-oxygenation vs. sulfur dioxide extrusion.
• Authors of publication: Manikandan, Palani; Karunakaran, Jayachandran; Varathan, Elumalai; Schreckenbach, Georg; Mohanakrishnan, Arasambattu K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 97
• Pages of publication: 15317 - 15320
• a: 10.417 ± 0.0003 Å
• b: 11.3442 ± 0.0004 Å
• c: 12.577 ± 0.0004 Å
• α: 108.867 ± 0.002°
• β: 105.293 ± 0.003°
• γ: 99.814 ± 0.004°
• Cell volume: 1302.26 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No