Information card for entry 7125981

Structure parameters

• Formula: C30 H23 N3 O2 S
• Calculated formula: C30 H23 N3 O2 S
• Title of publication: Organocatalytic asymmetric [4+2] cyclization of 2-benzothiazolimines with azlactones: access to chiral benzothiazolopyrimidine derivatives.
• Authors of publication: Ni, Qijian; Wang, Xuyang; Xu, Fangfang; Chen, Xiaoyun; Song, Xiaoxiao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 21
• Pages of publication: 3155 - 3158
• a: 10.313 ± 0.0003 Å
• b: 14.7947 ± 0.0004 Å
• c: 15.8422 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2417.17 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No