Information card for entry 4026453

Structure parameters

• Formula: C20 H16 Cl N
• Calculated formula: C20 H16 Cl N
• SMILES: c1(c2c(cccc2c2c3c1CCCn3c1c2cccc1)C)Cl
• Title of publication: Photoinduced Cyclization of 3-Acyl-2-halo-1-[(ω-phenylethynyl)alkyl]indoles to Azaheterocyclo[1,2,3-lm]-Fused Benzo[c]carbazoles
• Authors of publication: Shenci Lu; Ren Wang; Yi Yang; Yang Li; Zongjun Shi; Wei Zhang; Zhifeng Tu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 5661 - 5669
• a: 18.41 ± 0.05 Å
• b: 8.05 ± 0.02 Å
• c: 21.55 ± 0.06 Å
• α: 90°
• β: 103.39 ± 0.03°
• γ: 90°
• Cell volume: 3107 ± 14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1477
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No