Information card for entry 1555091

Structure parameters

• Formula: C18 H23 N O2
• Calculated formula: C18 H23 N O2
• SMILES: N(C(=O)C(c1cc2ccc(OC)cc2cc1)C)CCCC
• Title of publication: Pd-Catalyzed Regiodivergent Hydroesterification of Aryl Olefins with Phenyl Formate.
• Authors of publication: Ren, Wenlong; Chang, Wenju; Wang, Yang; Li, Jingfu; Shi, Yian
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3544 - 3547
• a: 12.58 ± 0.005 Å
• b: 15.83 ± 0.005 Å
• c: 8.839 ± 0.005 Å
• α: 90 ± 0.005°
• β: 109.551 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1658.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.173
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.259
• Weighted residual factors for all reflections included in the refinement: 0.326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No