Information card for entry 7037856

Structure parameters

• Formula: C38 H54 N2 O4
• Calculated formula: C38 H54 N2 O4
• SMILES: c12ccc3c4c(C(=O)N(C3=O)CCCCCCCCCCCC)ccc(c14)C(=O)N(C2=O)CCCCCCCCCCCC
• Title of publication: Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.
• Authors of publication: Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9754 - 9757
• a: 4.6352 ± 0.0002 Å
• b: 6.6073 ± 0.0002 Å
• c: 27.9285 ± 0.0009 Å
• α: 92.995 ± 0.002°
• β: 94.603 ± 0.002°
• γ: 104.495 ± 0.002°
• Cell volume: 823.12 ± 0.05 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No