Information card for entry 4026742

Structure parameters

• Formula: C26 H18 O2
• Calculated formula: C26 H18 O2
• SMILES: O=C(Oc1c2cc3ccccc3cc2c2ccccc2c1c1ccccc1)C
• Title of publication: Manganese(III) Acetate-Mediated Cyclization of Diarylmethylenecyclopropa[b]naphthalenes: A Method for the Synthesis of 1,2-Benzanthracene Derivatives
• Authors of publication: Jian Cao; Maozhong Miao; Wanli Chen; Luling Wu; Xian Huang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9329 - 9337
• a: 31.808 ± 0.002 Å
• b: 5.6746 ± 0.0003 Å
• c: 20.9233 ± 0.0012 Å
• α: 90°
• β: 98.1 ± 0.006°
• γ: 90°
• Cell volume: 3738.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No