Information card for entry 2207140

Structure parameters

• Chemical name: 6-[4-(2-Chloroethyloxy)naphthyl]fulvene
• Formula: C18 H15 Cl O
• Calculated formula: C18 H15 Cl O
• SMILES: C1=CC=CC1=Cc1ccc(c2ccccc12)OCCCl
• Title of publication: 6-[4-(2-Chloroethyloxy)naphthyl]fulvene
• Authors of publication: Li, Jie; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3901 - o3902
• a: 12.764 ± 0.009 Å
• b: 7.361 ± 0.005 Å
• c: 31.03 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2915 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes