Information card for entry 7129054

Structure parameters

• Formula: C36 H33 N4 O2 Rh
• Calculated formula: C36 H33 N4 O2 Rh
• SMILES: C1(=O)c2ccccc2N(c2ccccc2)N1[Rh]12345(c6c(cccc6)n6c7c(c([n]56)O)cccc7)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Synthesis of spirosuccinimides <i>via</i> annulative cyclization between <i>N</i>-aryl indazolols and maleimides under rhodium(III) catalysis.
• Authors of publication: Kang, Ju Young; An, Won; Kim, Suho; Kwon, Na Yeon; Jeong, Taejoo; Ghosh, Prithwish; Kim, Hyung Sik; Mishra, Neeraj Kumar; Kim, In Su
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 83
• Pages of publication: 10947 - 10950
• a: 12.8432 ± 0.0006 Å
• b: 14.0502 ± 0.0006 Å
• c: 16.6156 ± 0.0007 Å
• α: 90°
• β: 93.34 ± 0.002°
• γ: 90°
• Cell volume: 2993.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No