Information card for entry 7235951

Structure parameters

• Formula: C27 H29 B N2 O2 S
• Calculated formula: C27 H29 B N2 O2 S
• Title of publication: Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones
• Authors of publication: Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 107
• Pages of publication: 87888
• a: 14.6181 ± 0.0019 Å
• b: 11.4652 ± 0.0014 Å
• c: 15.805 ± 0.003 Å
• α: 90°
• β: 107.013 ± 0.004°
• γ: 90°
• Cell volume: 2533 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.244
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No