Information card for entry 2216320

Structure parameters

• Chemical name: 2-(8-Chloro-6,9-dimethyl-2,3,4,9-tetrahydro-1 H-carbazol-4-yl)acetaldehyde
• Formula: C16 H18 Cl N O
• Calculated formula: C16 H18 Cl N O
• SMILES: c12c(cc(cc1c1c(CCCC1CC=O)n2C)C)Cl
• Title of publication: 2-(8-Chloro-6,9-dimethyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-4-yl)acetaldehyde
• Authors of publication: Yuan-Yuan Lai; Jia-Rong Chen; Guang-Di Jia; Xing Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4818 - o4818
• a: 8.0456 ± 0.0005 Å
• b: 9.5454 ± 0.0004 Å
• c: 9.5698 ± 0.0004 Å
• α: 90.094 ± 0.002°
• β: 104.405 ± 0.002°
• γ: 93.273 ± 0.002°
• Cell volume: 710.58 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes