Information card for entry 1573802

Structure parameters

• Formula: C24 H20
• Calculated formula: C24 H20
• SMILES: c12cccc3c1cccc2CCc1cccc2c1cccc2CC3
• Title of publication: On the nature of the triplet electronic states of naphthalene dimers.
• Authors of publication: Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 4469 - 4479
• a: 8.4113 ± 0.0002 Å
• b: 11.9596 ± 0.0002 Å
• c: 8.1538 ± 0.0002 Å
• α: 90°
• β: 105.735 ± 0.003°
• γ: 90°
• Cell volume: 789.5 ± 0.03 ų
• Cell temperature: 292.63 ± 0.1 K
• Ambient diffraction temperature: 292.63 ± 0.1 K
• Number of distinct elements: 2
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No