Information card for entry 7129511

Structure parameters

• Formula: C24 H21 N3 O
• Calculated formula: C24 H21 N3 O
• SMILES: O1[C@@H]2[C@@H]3c4cccc(c4[C@](/N=N/c4ncccc4)(C)[C@@H]3[C@H]1c1c2cccc1)C.O1[C@H]2[C@H]3c4cccc(c4[C@@](/N=N/c4ncccc4)(C)[C@H]3[C@@H]1c1c2cccc1)C
• Title of publication: Cobalt-catalyzed highly diastereoselective [3 + 2] carboannulation reactions: facile access to substituted indane derivatives
• Authors of publication: Dey, Arnab; Singh, Anurag; Volla, Chandra M. R.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.3029 ± 0.0005 Å
• b: 9.8555 ± 0.0006 Å
• c: 11.368 ± 0.0006 Å
• α: 100.465 ± 0.005°
• β: 110.413 ± 0.005°
• γ: 103.14 ± 0.005°
• Cell volume: 911.54 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0729
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No