Information card for entry 2222015

Structure parameters

• Chemical name: 1,1'-(2-Thienylmethylene)di-2-naphthol ethyl acetate solvate
• Formula: C29 H26 O4 S
• Calculated formula: C29 H26 O4 S
• SMILES: C(c1c(ccc2ccccc12)O)(c1c(ccc2ccccc12)O)c1cccs1.CC(=O)OCC
• Title of publication: 1,1'-(2-Thienylmethylene)di-2-naphthol ethyl acetate solvate
• Authors of publication: Zhang, Yuan; Li, Yong Hua; Zhao, Min Min; Wu, De Hong; Yang, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1259
• a: 13.425 ± 0.003 Å
• b: 21.613 ± 0.004 Å
• c: 8.417 ± 0.002 Å
• α: 90°
• β: 98.808 ± 0.015°
• γ: 90°
• Cell volume: 2413.4 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0858
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes