Information card for entry 1560013

Structure parameters

• Formula: C26 H30 N2 O4
• Calculated formula: C26 H30 N2 O4
• SMILES: O=C1c2c(C(=O)c3c1ccc(NC(=O)CCCCC)c3)ccc(NC(=O)CCCCC)c2
• Title of publication: Aggregation-induced phosphorescence of an anthraquinone based emitter.
• Authors of publication: Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1004 - 1008
• a: 5.2406 ± 0.0007 Å
• b: 6.5334 ± 0.0008 Å
• c: 31.137 ± 0.004 Å
• α: 90°
• β: 91.691 ± 0.005°
• γ: 90°
• Cell volume: 1065.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1008
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No