Information card for entry 7132304

Structure parameters

• Formula: C22 H24 Cl N O2
• Calculated formula: C22 H24 Cl N O2
• SMILES: Clc1ccc2C(=C(c3ccc(cc3)C(=O)OCC)Cc2c1)NC(C)(C)C
• Title of publication: Synthesis of 3-Aminoindenes and cis-1-Aminoindanes by Zn(OTf)2-Catalyzed Cyclization of o-Alkynylbenzaldehydes with Tertiary Alkyl Primary Amines
• Authors of publication: Yao, Tuanli; Zhu, Rui; Liu, Tao
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.4089 ± 0.0003 Å
• b: 9.7814 ± 0.0003 Å
• c: 10.8175 ± 0.0004 Å
• α: 89.888 ± 0.003°
• β: 82.761 ± 0.003°
• γ: 87.726 ± 0.003°
• Cell volume: 986.84 ± 0.06 ų
• Cell temperature: 303.64 ± 0.1 K
• Ambient diffraction temperature: 303.64 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No