Information card for entry 4021538

Structure parameters

• Formula: C30 H26 O Se
• Calculated formula: C30 H26 O Se
• SMILES: [Se](C(=C\1CC1c1ccc(cc1)C)\C(O)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Reactions of Vinylidenecyclopropanes with Diphenyl Diselenide in the Presence of AIBN and Further Transformation To Produce New Naphthalene Derivatives
• Authors of publication: Min Shi; Jian-Mei Lu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 1920 - 1923
• a: 10.083 ± 0.001 Å
• b: 9.6407 ± 0.001 Å
• c: 25.028 ± 0.003 Å
• α: 90°
• β: 101.187 ± 0.002°
• γ: 90°
• Cell volume: 2386.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No