Information card for entry 2215309

Structure parameters

• Chemical name: (3aR,10bR)-3a,4,10,10b-Tetrahydro-2H-furo[2,3-a]carbazol-5(3H)-one
• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: O1CC[C@H]2CC(=O)c3c4ccccc4[nH]c3[C@@H]12.O1CC[C@H]2CC(=O)c3c4ccccc4[nH]c3[C@@H]12.O1CC[C@@H]2CC(=O)c3c4ccccc4[nH]c3[C@H]12.O1CC[C@@H]2CC(=O)c3c4ccccc4[nH]c3[C@H]12
• Title of publication: 3a,4,10,10b-Tetrahydro-2<i>H</i>-furo[2,3-<i>a</i>]carbazol-5(3<i>H</i>)-one
• Authors of publication: Çaylak, Nagihan; Hökelek, Tuncer; Uludağ, Nesimi; Patır, Süleyman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3913 - o3914
• a: 9.597 ± 0.0002 Å
• b: 10.0316 ± 0.0003 Å
• c: 12.4952 ± 0.0003 Å
• α: 98.498 ± 0.015°
• β: 107.499 ± 0.018°
• γ: 96.362 ± 0.019°
• Cell volume: 1119.21 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2067
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes