Information card for entry 7119785

Structure parameters

• Formula: C35 H29 N O
• Calculated formula: C35 H29 N O
• SMILES: N1(c2ccccc2[C@@H]([C@H]1c1ccccc1)C=C(c1ccccc1)c1ccccc1)c1ccc(OC)cc1.N1(c2ccccc2[C@H]([C@@H]1c1ccccc1)C=C(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
• Title of publication: Tertiary amine self-catalyzed intramolecular Csp3-H functionalization with in situ generated allenes for the formation of 3-alkenyl indolines.
• Authors of publication: Zhao, Yulei; Xu, Murong; Zheng, Zhong; Yuan, Yang; Li, Yanzhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 3721 - 3724
• a: 6.3044 ± 0.0009 Å
• b: 10.7952 ± 0.0015 Å
• c: 20.613 ± 0.003 Å
• α: 77.669 ± 0.004°
• β: 88.541 ± 0.003°
• γ: 75.011 ± 0.003°
• Cell volume: 1323.2 ± 0.3 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: 0.0717
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No