Information card for entry 2222981

Structure parameters

• Common name: 1-ethoxy-5,8,11-trimethyldibenzo[c,d]-2,14-dioxa[3,3,1]nonane
• Chemical name: 9-Ethoxy-1,5,13-trimethyl-8,10-dioxatetracyclo[7.7.1.0^2,7^.0^11,16^]heptadeca- 2,4,6,11,13,15-hexaene
• Formula: C20 H22 O3
• Calculated formula: C20 H22 O3
• SMILES: C12(OCC)Oc3cc(C)ccc3C(C)(c3ccc(C)cc3O1)C2
• Title of publication: 9-Ethoxy-1,5,13-trimethyl-8,10-dioxatetracyclo[7.7.1.0^2,7^.0^11,16^]heptadeca-2,4,6,11,13,15-hexaene
• Authors of publication: Nowakowska-Bogdan, Ewa Maria; Wicher, Ewa; Ejsmont, Krzysztof; Zaleski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2228
• a: 14.3718 ± 0.0006 Å
• b: 11.6446 ± 0.0005 Å
• c: 10.226 ± 0.0004 Å
• α: 90°
• β: 96.901 ± 0.004°
• γ: 90°
• Cell volume: 1698.96 ± 0.12 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 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: 0.0774
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes