Information card for entry 2209991

Structure parameters

• Chemical name: 3,5-Bis[(carbazol-9-yl)methyl]-1-methoxybenzene
• Formula: C33 H26 N2 O
• Calculated formula: C33 H26 N2 O
• SMILES: O(c1cc(cc(Cn2c3ccccc3c3ccccc23)c1)Cn1c2ccccc2c2ccccc12)C
• Title of publication: 3,5-Bis[(carbazol-9-yl)methyl]-1-methoxybenzene
• Authors of publication: G. Senthil Kumar; K. Chinnakali; K. Sekar; P. Rajakumar; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3597 - o3599
• a: 10.3729 ± 0.0001 Å
• b: 13.136 ± 0.0002 Å
• c: 18.341 ± 0.0002 Å
• α: 90°
• β: 105.573 ± 0.001°
• γ: 90°
• Cell volume: 2407.37 ± 0.05 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: 0.0619
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes