Information card for entry 2217612

Structure parameters

• Common name: fl_ind_aniline
• Chemical name: (<i>E</i>)-<i>N</i>-[2-(9-Fluorenylidene)-3a,5,7-trimethyl-3,3a-dihydro- 2<i>H</i>-indol-3-ylidene]-2,4,6-trimethylaniline
• Formula: C33 H30 N2
• Calculated formula: C33 H30 N2
• SMILES: N(=C1/C(=C2/c3ccccc3c3ccccc23)/N=C2C(=CC(=CC12C)C)C)\c1c(cc(cc1C)C)C
• Title of publication: (<i>E</i>)-<i>N</i>-[2-(9-Fluorenylidene)-3a,5,7-trimethyl-3,3a-dihydro-2<i>H</i>-indol-3-ylidene]-2,4,6-trimethylaniline
• Authors of publication: Yoshiyuki Mizuhata; Norihiro Tokitoh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o493 - o493
• a: 10.281 ± 0.0002 Å
• b: 11.2727 ± 0.0003 Å
• c: 21.6598 ± 0.0005 Å
• α: 90°
• β: 102.595 ± 0.0016°
• γ: 90°
• Cell volume: 2449.84 ± 0.1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes