Information card for entry 1505852

Structure parameters

• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O1[C@@H]2Oc3c(CC2=C[C@@H]([C@H]1COC)OC)c1c(cc3)cccc1
• Title of publication: Crystal or low molecular mass organogel based on sugar-derived chiral pyrano[2,3-b]naphtho[1,2-e]pyrans.
• Authors of publication: Ghosh, Rina; Chakraborty, Arijit; Maiti, Dilip K.; Puranik, Vedavati G.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1061 - 1064
• a: 4.5846 ± 0.0005 Å
• b: 11.1492 ± 0.0013 Å
• c: 30.445 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1556.2 ± 0.3 ų
• Cell temperature: 568 ± 2 K
• Ambient diffraction temperature: 568 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No