Information card for entry 1546470

Structure parameters

• Formula: C24 H14 O
• Calculated formula: C24 H14 O
• SMILES: Oc1ccc2cccc3c4c5ccccc5c5ccccc5c4c1c23
• 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: 11.113 ± 0.004 Å
• b: 4.9271 ± 0.0018 Å
• c: 13.773 ± 0.005 Å
• α: 90°
• β: 101.305 ± 0.012°
• γ: 90°
• Cell volume: 739.5 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1561
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.3206
• Weighted residual factors for all reflections included in the refinement: 0.4226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.395
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No