Information card for entry 7152686

Structure parameters

• Formula: C23 H19 Cl N2 O
• Calculated formula: C23 H19 Cl N2 O
• SMILES: Clc1cc2c3C(=O)N(C4=CC(Cc(nc2cc1)c34)(C)C)c1ccc(cc1)C
• Title of publication: A domino synthetic strategy leading to two-carbon-tethered fused acridine/indole pairs and fused acridine derivatives.
• Authors of publication: Jiang, Bo; Wang, Xue; Li, Meng-Yuan; Wu, Qiong; Ye, Qin; Xu, Hai-Wei; Tu, Shu-Jiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 42
• Pages of publication: 8533 - 8538
• a: 9.8221 ± 0.0009 Å
• b: 10.078 ± 0.001 Å
• c: 11.4409 ± 0.0012 Å
• α: 109.877 ± 0.002°
• β: 103.016 ± 0.001°
• γ: 102.588 ± 0.001°
• Cell volume: 982.6 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0908
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No