Information card for entry 1506316

Structure parameters

• Formula: C32 H26
• Calculated formula: C32 H26
• SMILES: c1cccc2c1C1(c3c(C42C2(c5ccccc5C(c5c2cccc5)(C4)C)C1)cccc3)C
• Title of publication: Photocatalytic formation of dimethyllepidopterene from 9,10-dimethylanthracene via electron-transfer oxidation.
• Authors of publication: Ohkubo, Kei; Iwata, Ryosuke; Miyazaki, Soushi; Kojima, Takahiko; Fukuzumi, Shunichi
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 26
• Pages of publication: 6079 - 6082
• a: 9.544 ± 0.002 Å
• b: 11.546 ± 0.003 Å
• c: 10.453 ± 0.003 Å
• α: 90 ± 0.0008°
• β: 107.808 ± 0.0009°
• γ: 90 ± 0.0008°
• Cell volume: 1096.7 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0498
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No