Information card for entry 2004319

Structure parameters

• Chemical name: 8,16-Methano-16H-dinaphtho[2,1-d:1',2'-g][1,3]dioxocin-2,14-diol
• Formula: C23 H16 O4
• Calculated formula: C23 H16 O4
• SMILES: O1c2c(C3CC1Oc1c3c3c(cc1)ccc(c3)O)c1c(cc2)ccc(c1)O
• Title of publication: 8,16-Methano-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3]dioxocine-2,14-diol
• Authors of publication: Klei, H. E.; Callegari, E.; Edwards, J. M.; Kelly, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2621 - 2624
• a: 10.458 ± 0.002 Å
• b: 16.969 ± 0.003 Å
• c: 9.739 ± 0.002 Å
• α: 90°
• β: 104.93 ± 0.03°
• γ: 90°
• Cell volume: 1670 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0751
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No