Information card for entry 2233988

Structure parameters

• Chemical name: (3<i>E</i>,5<i>E</i>)-3,5-Bis(naphthalen-1-ylmethylidene)piperidin-4-one
• Formula: C27 H21 N O
• Calculated formula: C27 H21 N O
• SMILES: O=C1C(=C\c2c3ccccc3ccc2)\CNC/C1=C\c1cccc2ccccc12
• Title of publication: (3<i>E</i>,5<i>E</i>)-3,5-Bis(naphthalen-1-ylmethylidene)piperidin-4-one
• Authors of publication: Kia, Yalda; Osman, Hasnah; Murugaiyah, Vikneswaran; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o802 - o803
• a: 9.4833 ± 0.0002 Å
• b: 10.0838 ± 0.0002 Å
• c: 20.3885 ± 0.0004 Å
• α: 90°
• β: 101.513 ± 0.001°
• γ: 90°
• Cell volume: 1910.48 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0763
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes