Information card for entry 1546278

Structure parameters

• Chemical name: 170401NO
• Formula: C28 H22 O
• Calculated formula: C28 H22 O
• SMILES: O1[C@@]23c4c(c5c([C@]2(c2c6c(ccc12)cccc6)CC3(C)C)cccc5)cccc4.O1[C@]23c4c(c5c([C@@]2(c2c6c(ccc12)cccc6)CC3(C)C)cccc5)cccc4
• Title of publication: Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.
• Authors of publication: Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 3327 - 3330
• a: 15.5228 ± 0.0002 Å
• b: 7.4794 ± 0.0001 Å
• c: 17.7719 ± 0.0003 Å
• α: 90°
• β: 110.099 ± 0.002°
• γ: 90°
• Cell volume: 1937.68 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No