Information card for entry 1550680

Structure parameters

• Formula: C138 H202 F19 N6 O18 S6
• Calculated formula: C138 H202 F19 N6 O18 S6
• Title of publication: Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor
• Authors of publication: Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 18.9188 ± 0.0012 Å
• b: 10.3807 ± 0.0006 Å
• c: 35.7997 ± 0.0016 Å
• α: 90°
• β: 97.509 ± 0.004°
• γ: 90°
• Cell volume: 6970.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1916
• Residual factor for significantly intense reflections: 0.159
• Weighted residual factors for significantly intense reflections: 0.3767
• Weighted residual factors for all reflections included in the refinement: 0.396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No