Information card for entry 7203134

Structure parameters

• Chemical name: 2,4,6-Tris(benzyloxy)-1,3,5-triazine
• Formula: C24 H21 N3 O3
• Calculated formula: C24 H21 N3 O3
• SMILES: O(c1nc(OCc2ccccc2)nc(OCc2ccccc2)n1)Cc1ccccc1
• Title of publication: NLO Activity in some non-conjugated 3D triazine derivatives: a non-centrosymmetric crystal through conformational flexibility
• Authors of publication: Srinivas, K.; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash, K.; Ravikumar, K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 496
• a: 23.4804 ± 0.0013 Å
• b: 11.7367 ± 0.0007 Å
• c: 7.365 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2029.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No