Information card for entry 2234328

Structure parameters

• Chemical name: <i>N</i>-Acetyl-<i>N</i>-[2,4-dicyano-1-(4-methoxyphenyl)-9,10- dihydrophenanthren-3-yl]acetamide
• Formula: C27 H21 N3 O3
• Calculated formula: C27 H21 N3 O3
• SMILES: O=C(N(c1c(c2c(CCc3ccccc23)c(c1C#N)c1ccc(OC)cc1)C#N)C(=O)C)C
• Title of publication: <i>N</i>-Acetyl-<i>N</i>-[2,4-dicyano-1-(4-methoxyphenyl)-9,10-dihydrophenanthren-3-yl]acetamide
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Thabaiti, Shaeel A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1177 - o1178
• a: 8.3321 ± 0.0004 Å
• b: 19.4037 ± 0.0011 Å
• c: 27.5887 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4460.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes