Information card for entry 2202262

Structure parameters

• Common name: Hydrindantin
• Chemical name: 2,2'-Dihydroxy-[2,2'-bi-1H-indene]-1,1',3,3'-(2H,2'H)-tetrone dihydrate
• Formula: C18 H14 O8
• Calculated formula: C18 H14 O8
• SMILES: O=C1c2ccccc2C(=O)C1(O)C1(O)C(=O)c2c(C1=O)cccc2.O.O
• Title of publication: 2,2'-Dihydroxy-[2,2'-bi-1<i>H</i>-indene]-1,1',3,3'-(2<i>H</i>,2'<i>H</i>)-tetrone dihydrate
• Authors of publication: Daniel E. Lynch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1133 - o1134
• a: 8.4479 ± 0.0004 Å
• b: 12.4759 ± 0.0006 Å
• c: 7.9293 ± 0.0004 Å
• α: 90°
• β: 100.634 ± 0.003°
• γ: 90°
• Cell volume: 821.36 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes