Information card for entry 4027587

Structure parameters

• Formula: C30 H54 Se6
• Calculated formula: C30 H54 Se6
• SMILES: C(C)(C)(C)[Se]c1c([Se]C(C)(C)C)c([Se]C(C)(C)C)c([Se]C(C)(C)C)c([Se]C(C)(C)C)c1[Se]C(C)(C)C
• Title of publication: Synthesis of Protected Benzenepolyselenols
• Authors of publication: Dayna L. Turner; Thomas P. Vaid
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9397 - 9400
• a: 10.735 ± 0.006 Å
• b: 16.83 ± 0.008 Å
• c: 19.618 ± 0.009 Å
• α: 90°
• β: 95.45 ± 0.02°
• γ: 90°
• Cell volume: 3528 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1263
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No