Information card for entry 2200984

Structure parameters

• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: O=C(OCC)c1ccc2[nH]c3c(c2c1C)cccc3
• Title of publication: Ethyl 4-methyl-9<i>H</i>-carbazole-3-carboxylate
• Authors of publication: Hökelek, Tuncer; Patır, Süleyman; Ergün, Yavuz; Okay, Gürol
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o206 - o208
• a: 7.2919 ± 0.001 Å
• b: 9.0198 ± 0.001 Å
• c: 19.583 ± 0.002 Å
• α: 90°
• β: 92.798 ± 0.009°
• γ: 90°
• Cell volume: 1286.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1115
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes