Information card for entry 2206158

Structure parameters

• Common name: exo spiroalcohol
• Chemical name: 2-Hydroxy-2'-oxo-1,2,3,3a,8,8a,1',2',3',4'-decahydrospiro[cyclopenta[a]indene- 3,1'-naphthalen]-8-yl acetate
• Formula: C23 H22 O4
• Calculated formula: C23 H22 O4
• SMILES: O([C@H]1[C@@H]2C[C@H](O)[C@@]3(c4ccccc4CCC3=O)[C@@H]2c2ccccc12)C(=O)C.O([C@@H]1[C@H]2C[C@@H](O)[C@]3(c4ccccc4CCC3=O)[C@H]2c2ccccc12)C(=O)C
• Title of publication: 2-Hydroxy-2'-oxo-1,2,3,3a,8,8a,1',2',3',4'-decahydrospiro[cyclopenta[<i>a</i>]indene-3,1'-naphthalen]-8-yl acetate
• Authors of publication: Hong-Tao Mu; He-Yang Li; Hai-Bin Song; Wen-Bin Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2305 - o2307
• a: 10.949 ± 0.004 Å
• b: 9.344 ± 0.003 Å
• c: 18.961 ± 0.005 Å
• α: 90°
• β: 109.154 ± 0.016°
• γ: 90°
• Cell volume: 1832.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes