Information card for entry 2011145

Structure parameters

• Chemical name: 7-Chloro-3,6-dimethyl-1H-indene-2-carbaldehyde
• Formula: C12 H11 Cl O
• Calculated formula: C12 H11 Cl O
• SMILES: Clc1c(ccc2C(=C(Cc12)C=O)C)C
• Title of publication: 7-Chloro-3,6-dimethyl-1<i>H</i>-indene-2-carbaldehyde
• Authors of publication: Pani, Marcella; Mugnoli, Angelo; Sottofattori, Enzo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 840 - 842
• a: 7.146 ± 0.002 Å
• b: 19.751 ± 0.004 Å
• c: 7.408 ± 0.001 Å
• α: 90°
• β: 106.12 ± 0.02°
• γ: 90°
• Cell volume: 1004.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No