Information card for entry 4029885

Structure parameters

• Formula: C24 H30 N2 O6
• Calculated formula: C24 H30 N2 O6
• SMILES: O=[N]1C(C(=CC1(C)C)C(=O)Oc1cc(OC(=O)C2=CC([N](=O)C2(C)C)(C)C)ccc1)(C)C
• Title of publication: A modular approach for the synthesis of nanometer-sized polynitroxide multi-spin systems.
• Authors of publication: Valera, Silvia; Taylor, James E.; Daniels, David S. B.; Dawson, Daniel M.; Athukorala Arachchige, Kasun S.; Ashbrook, Sharon E.; Slawin, Alexandra M. Z.; Bode, Bela E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 17
• Pages of publication: 8313 - 8323
• a: 18.337 ± 0.01 Å
• b: 5.919 ± 0.003 Å
• c: 22.367 ± 0.011 Å
• α: 90°
• β: 106.085 ± 0.015°
• γ: 90°
• Cell volume: 2333 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.3611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.368
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No