Information card for entry 7219396

Structure parameters

• Formula: C27 H36 N2 S
• Calculated formula: C27 H36 N2 S
• SMILES: S=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C
• Title of publication: Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers
• Authors of publication: Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 19.2174 ± 0.0014 Å
• b: 6.8155 ± 0.0004 Å
• c: 20.0755 ± 0.0017 Å
• α: 90°
• β: 101.338 ± 0.008°
• γ: 90°
• Cell volume: 2578.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.083202
• Residual factor for significantly intense reflections: 0.06264
• Weighted residual factors for all reflections included in the refinement: 0.178639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06447
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No