Information card for entry 7152298

Structure parameters

• Formula: C36 H41 N3 O4 S2
• Calculated formula: C36.006 H41.015 N3 O4 S2
• Title of publication: Cascade synthesis of bis-N-sulfonylcyclobutenes via Cu(i)/Lewis acid-catalyzed (3 + 2)/(2 + 2) cycloadditions: observation of aggregation-induced emission enhancement from restricted C[double bond, length as m-dash]N photoisomerization.
• Authors of publication: Namitharan, Kayambu; Pitchumani, Kasi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 2937 - 2941
• a: 10.8355 ± 0.0004 Å
• b: 12.6814 ± 0.0005 Å
• c: 24.4115 ± 0.0008 Å
• α: 90°
• β: 94.018 ± 0.002°
• γ: 90°
• Cell volume: 3346.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No