Information card for entry 7062549

Structure parameters

• Formula: C11 H13 N O
• Calculated formula: C11 H13 N O
• SMILES: OCCn1c2ccccc2cc1C
• Title of publication: Designing inorganic–organic hybrid molecules based on carbazole/indole-appended cyclotriphosphazenes and the investigation of their photophysical properties
• Authors of publication: Palabıyık, Duygu; Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 13866 - 13879
• a: 9.291 ± 0.003 Å
• b: 13.506 ± 0.005 Å
• c: 15.467 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1940.9 ± 1.1 ų
• Cell temperature: 298.96 K
• Ambient diffraction temperature: 298.96 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1101
• 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: No