Information card for entry 7154672

Structure parameters

• Common name: Szpilman13 (Sukanta)
• Formula: C32 H34 N O
• Calculated formula: C32 H34 N O
• SMILES: O=[N]1[C@H](c2c3c([C@@H]1c1c(cc(cc1C)C)C)c(ccc3ccc2C)C)c1c(cc(cc1C)C)C.O=[N]1[C@@H](c2c3c([C@H]1c1c(cc(cc1C)C)C)c(ccc3ccc2C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and stability of cyclic α-hydrogen nitroxides.
• Authors of publication: Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 43
• Pages of publication: 10726 - 10733
• a: 7.736 ± 0.002 Å
• b: 12.285 ± 0.002 Å
• c: 14.643 ± 0.003 Å
• α: 71.82 ± 0.02°
• β: 88.31 ± 0.02°
• γ: 73.55 ± 0.02°
• Cell volume: 1265.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No