Information card for entry 2240945

Structure parameters

• Chemical name: <i>rac</i>-(3a<i>R</i>*,9a<i>S</i>*)-4,4,4-Trichloro-1,2,3,3a,4,9a-hexahydro-4λ^5^,9λ^4^-cyclopenta[4,5][1,3]tellurazolo[3,2-<i>a</i>]pyridine
• Formula: C10 H12 Cl3 N Te
• Calculated formula: C10 H12 Cl3 N Te
• SMILES: Cl[Te]1(Cl)(Cl)[C@H]2CCC[C@H]2[n+]2c1cccc2.Cl[Te]1(Cl)(Cl)[C@@H]2CCC[C@@H]2[n+]2c1cccc2
• Title of publication: Crystal structure of <i>rac</i>-(3a<i>R</i>*,9a<i>S</i>*)-4,4,4-trichloro-1,2,3,3a,4,9a-hexahydro-4λ^5^,9λ^4^-cyclopenta[4,5][1,3]tellurazolo[3,2-<i>a</i>]pyridine
• Authors of publication: Askerov, Rizvan K.; Lukiyanova, Julia M.; Matsulevich, Zhanna V.; Borisov, Alexander V.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o598 - o599
• a: 14.3279 ± 0.0006 Å
• b: 11.2539 ± 0.0005 Å
• c: 16.2967 ± 0.0007 Å
• α: 90°
• β: 94.546 ± 0.001°
• γ: 90°
• Cell volume: 2619.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes