Information card for entry 2243579

Structure parameters

• Chemical name: 1,1'-{(1<i>E</i>,1'<i>E</i>)-[4,4'-(9<i>H</i>-Fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate
• Formula: C53 H36 Cl2 N2 O2
• Calculated formula: C53 H36 Cl2 N2 O2
• SMILES: Clc1c(Cl)cccc1.Oc1c(/C=N/c2ccc(C3(c4ccccc4c4ccccc34)c3ccc(/N=C/c4c(O)ccc5ccccc45)cc3)cc2)c2c(cc1)cccc2
• Title of publication: Crystal structure of 1,1'-{(1<i>E</i>,1'<i>E</i>)-[4,4'-(9<i>H</i>-fluorene-9,9-diyl)bis(4,1-phenylene)]bis(azanylylidene)bis(methanylylidene)}bis(naphthalen-2-ol) dichlorobenzene monosolvate
• Authors of publication: Wodajo, Ayalew; Tskhovrebov, Alexander G.; Le, Tuan Anh; Kubasov, Alexey S.; Grishina, Maria M.; Krutius, Oleg N.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1579 - 1581
• a: 13.307 ± 0.0006 Å
• b: 9.1782 ± 0.0004 Å
• c: 32.2298 ± 0.0016 Å
• α: 90°
• β: 100.251 ± 0.002°
• γ: 90°
• Cell volume: 3873.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes