Information card for entry 7704413

Structure parameters

• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• 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: 8.0842 ± 0.0004 Å
• b: 11.3339 ± 0.0005 Å
• c: 26.9495 ± 0.0013 Å
• α: 90°
• β: 91.201 ± 0.004°
• γ: 90°
• Cell volume: 2468.7 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0871
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No