Information card for entry 2018636

Structure parameters

• Chemical name: Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18- <i>b</i>''<i>c</i>''<i>d</i>'':23,24- <i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran
• Formula: C40 H16 O4
• Calculated formula: C40 H16 O4
• SMILES: c1ccc2c(c1)c1oc3c4c1c1c2oc2c1c1c5c6c4c(c4c3cccc4)oc6c3c(c5oc1c1c2cccc1)cccc3
• Title of publication: Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18-<i>b</i>''<i>c</i>''<i>d</i>'':23,24-<i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran
• Authors of publication: Fouad, Farid; Bunge, Scott D.; Ellman, Brett D.; Twieg, Robert J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o465 - o467
• a: 15.592 ± 0.003 Å
• b: 4.3936 ± 0.0008 Å
• c: 17.713 ± 0.003 Å
• α: 90°
• β: 100.746 ± 0.003°
• γ: 90°
• Cell volume: 1192.1 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes