Information card for entry 1502912

Structure parameters

• Formula: C21 H16 O4
• Calculated formula: C21 H16 O4
• SMILES: O(C)c1cccc2c1C1c3c(Oc4c1c(O2)ccc4)cccc3OC
• Title of publication: Synthesis, resolution, and stabilities of a cationic chromenoxanthene [4]helicene.
• Authors of publication: Guin, Joyram; Besnard, Céline; Lacour, Jérôme
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1748 - 1751
• a: 13.3623 ± 0.001 Å
• b: 8.7047 ± 0.0004 Å
• c: 13.9012 ± 0.0012 Å
• α: 90°
• β: 100.174 ± 0.01°
• γ: 90°
• Cell volume: 1591.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0664
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9429
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No