Information card for entry 7704412

Structure parameters

• Formula: C23 H19 N O4
• Calculated formula: C23 H19 N O4
• SMILES: O(C)C(=O)c1cc2c(n(c3c2cc(cc3)C(=O)OC)Cc2ccccc2)cc1
• Title of publication: Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.
• Authors of publication: Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16340 - 16347
• a: 8.5221 ± 0.0007 Å
• b: 18.6073 ± 0.0014 Å
• c: 11.5804 ± 0.0008 Å
• α: 90°
• β: 90.784 ± 0.002°
• γ: 90°
• Cell volume: 1836.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0563
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No