Information card for entry 2211120

Structure parameters

• Chemical name: Ethyl 9-hydroxyfluorene-9-carboxylate
• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: c12ccccc1c1ccccc1C2(C(=O)OCC)O
• Title of publication: Ethyl 9-hydroxyfluorene-9-carboxylate: chains of centrosymmetric rings built from O—H···O and C—H···π(arene) hydrogen bonds
• Authors of publication: Dai, Xu-Ya; Jin, Long-Fei; Song, Fa-Hui; Wu, Bai-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5340 - o5342
• a: 11.2422 ± 0.001 Å
• b: 11.8831 ± 0.001 Å
• c: 11.9561 ± 0.001 Å
• α: 73.793 ± 0.001°
• β: 63.225 ± 0.001°
• γ: 70.498 ± 0.001°
• Cell volume: 1328.4 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes