Information card for entry 2228987

Structure parameters

• Chemical name: 1-Chloro-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalene-2-carbaldehyde
• Formula: C17 H11 Cl3 O
• Calculated formula: C17 H11 Cl3 O
• SMILES: ClC1=C(C=O)CC(c2c1cccc2)c1ccc(Cl)c(Cl)c1
• Title of publication: 1-Chloro-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalene-2-carbaldehyde
• Authors of publication: Devarajegowda, H. C.; Nagendra, P.; Jeyaseelan, S.; Chidananda, N.; Poojary, Boja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o378
• a: 10.2969 ± 0.0005 Å
• b: 10.8849 ± 0.0005 Å
• c: 13.6144 ± 0.0007 Å
• α: 90°
• β: 91.436 ± 0.005°
• γ: 90°
• Cell volume: 1525.43 ± 0.13 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: 0.0707
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes