Information card for entry 2200307

Structure parameters

• Chemical name: 7a,13b-ethylenedioxy-1-hydroxy-7a,13b-dihydrodibenzo[a,kl]xanthene
• Formula: C22 H16 O4
• Calculated formula: C22 H16 O4
• SMILES: O1c2c3c(c(O)ccc3ccc2)[C@]23c4c(C=C[C@@]13OCCO2)cccc4.O1c2c3c(c(O)ccc3ccc2)[C@@]23c4c(C=C[C@]13OCCO2)cccc4
• Title of publication: 7a,13b-Ethylenedioxy-1-hydroxy-7a,13b-dihydrodibenzo[<i>a</i>,<i>kl</i>]xanthene
• Authors of publication: Cai, Yue-Peng; Tan, Duan-Min; Su, Cheng-Yong; Liao, Miao-Fen; Kang, Bei-Sheng; Xu, Zun-Le
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o528 - o530
• a: 7.317 ± 0.001 Å
• b: 17.787 ± 0.004 Å
• c: 12.422 ± 0.002 Å
• α: 90°
• β: 98.7 ± 0.03°
• γ: 90°
• Cell volume: 1598.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No