Information card for entry 7119727

Structure parameters

• Formula: C28 H24 Cl N O
• Calculated formula: C28 H24 Cl N O
• SMILES: Clc1ccc2c3c(C(=O)N(C3c3ccc(cc3)C(C)(C)C)c3ccccc3)ccc2c1
• Title of publication: Metal-free benzannulation of 1,7-diynes towards unexpected 1-aroyl-2-naphthaldehydes and their application in fused aza-heterocyclic synthesis.
• Authors of publication: Wang, Ai-Fang; Zhou, Peng; Zhu, Yi-Long; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 3369 - 3372
• a: 26.22 ± 0.03 Å
• b: 6.695 ± 0.007 Å
• c: 28.76 ± 0.03 Å
• α: 90°
• β: 115.874 ± 0.016°
• γ: 90°
• Cell volume: 4543 ± 9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2084
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No