Information card for entry 1554290

Structure parameters

• Formula: C26 H21 N3 O2
• Calculated formula: C26 H21 N3 O2
• SMILES: o1c([C@]2([C@H]3c4ccccc4N([C@@H]23)c2ncccn2)c2ccccc2)cc(c1C)C(=O)C.o1c([C@@]2([C@@H]3c4ccccc4N([C@H]23)c2ncccn2)c2ccccc2)cc(c1C)C(=O)C
• Title of publication: Directing group assisted ZnI2-catalyzed cyclopropanation of indoles via 2-furylcarbenoids
• Authors of publication: Chen, Wei; Ji, Dong-Sheng; Luo, Yong-Chun; Wang, Zhu-Yin; Xu, Peng-Fei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 1768
• a: 7.6842 ± 0.0009 Å
• b: 19.978 ± 0.002 Å
• c: 13.7517 ± 0.0018 Å
• α: 90°
• β: 98.473 ± 0.012°
• γ: 90°
• Cell volume: 2088 ± 0.4 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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 all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No