Information card for entry 2023364

Structure parameters

• Common name: 5,10-Bis(phenylsulfonyl)tetrahydrodibenzopentalene
• Chemical name: 8,16-Bis(benzenesulfonyl)tetracyclo[7.7.0.0^2,7^.0^10,15^]hexadeca-2,4,6,10(15),11,13-hexaene
• Formula: C28 H22 O4 S2
• Calculated formula: C28 H22 O4 S2
• SMILES: S(=O)(=O)([C@H]1[C@@H]2c3ccccc3[C@@H](S(=O)(=O)c3ccccc3)[C@@H]2c2c1cccc2)c1ccccc1.S(=O)(=O)([C@@H]1[C@H]2c3ccccc3[C@H](S(=O)(=O)c3ccccc3)[C@H]2c2c1cccc2)c1ccccc1
• Title of publication: Synthesis and crystal structure of 5,10-bis(phenylsulfonyl)tetrahydrodibenzopentalene
• Authors of publication: Sakami, Toshiki; Watanabe, Hikaru; Sato, Takuma; Okuda, Yasuhiro; Wakamatsu, Kan; Akashi, Haruo; Orita, Akihiro
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 17.2598 ± 0.0003 Å
• b: 10.0898 ± 0.0001 Å
• c: 13.181 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2295.44 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No