Information card for entry 2020639

Structure parameters

• Chemical name: Ethyl 4-(9<i>H</i>-carbazol-9-yl)benzoate
• Formula: C21 H17 N O2
• Calculated formula: C21 H17 N O2
• Title of publication: Ethyl 4-(9<i>H</i>-carbazol-9-yl)benzoate: fivefold superstructure with ten crystallographically independent molecules refined from a twinned crystal
• Authors of publication: Lifshits, Liubov M.; Singh, Varun; Zeller, Matthias; Klosterman, Jeremy K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 901 - 909
• a: 16.4815 ± 0.0009 Å
• b: 24.8758 ± 0.0014 Å
• c: 39.975 ± 0.002 Å
• α: 90°
• β: 90.0317 ± 0.0019°
• γ: 90°
• Cell volume: 16389.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1052
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes