Information card for entry 7159957

Structure parameters

• Formula: C25 H16 O2
• Calculated formula: C25 H16 O2
• SMILES: O(c1cc2c3c(c4c5c6c(ccc5O)cccc6c4c2cc1)cccc3)C
• Title of publication: Chromic properties of dibenzo[<i>j</i>,<i>l</i>]fluoranthenes exhibiting different resonance contributions.
• Authors of publication: Kurokawa, Kazuma; Ogawa, Naoki; Kuroda, Yusuke; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 26
• Pages of publication: 5306 - 5313
• a: 15.6918 ± 0.0003 Å
• b: 5.05931 ± 0.00011 Å
• c: 21.7368 ± 0.0005 Å
• α: 90°
• β: 108 ± 0.002°
• γ: 90°
• Cell volume: 1641.22 ± 0.06 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0419
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No