Information card for entry 7058476

Structure parameters

• Formula: C36 H28 B2 N2 O8 Si2
• Calculated formula: C36 H28 B2 N2 O8 Si2
• Title of publication: Second-order nonlinear optical properties of eight-membered centrosymmetric cyclic borasiloxanes
• Authors of publication: Gopalakrishnan, Mohan; Viswanathan, Thamodharan; David, Ezhumalai; Thirumoorthy, Krishnan; Bhuvanesh, Nattamai S. P.; Palanisami, Nallasamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 27
• Pages of publication: 10948
• a: 8.03 ± 0.003 Å
• b: 10.958 ± 0.004 Å
• c: 11.633 ± 0.005 Å
• α: 63.517 ± 0.005°
• β: 72.042 ± 0.005°
• γ: 84.943 ± 0.005°
• Cell volume: 870.1 ± 0.6 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No