Information card for entry 2235579

Structure parameters

• Chemical name: {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone
• Formula: C40 H44 O3
• Calculated formula: C39.999 H44 O3
• SMILES: CCCCCCC1(CCCCCC)c2cc(ccc2c2c1cccc2)C(=O)c1ccccc1C(=O)c1ccc(cc1)OC
• Title of publication: {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone
• Authors of publication: Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2141
• a: 16.7593 ± 0.001 Å
• b: 11.4989 ± 0.0006 Å
• c: 17.146 ± 0.001 Å
• α: 90°
• β: 90.449 ± 0.002°
• γ: 90°
• Cell volume: 3304.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes