Information card for entry 2200142

Structure parameters

• Chemical name: 1,5,13-trimethyl-8,10-dioxa-9-phenyl tetracyclo[7.7.1.0^2^7^0^11^16^] heptadeca-2,4,6,11,13,15-hexaene
• Formula: C24 H22 O2
• Calculated formula: C24 H22 O2
• SMILES: C12(c3ccc(cc3OC(Oc3cc(ccc13)C)(C2)c1ccccc1)C)C
• Title of publication: 1,5,13-Trimethyl-9-phenyl-8,10-dioxatetracyclo[7.7.1.0^2,7^.0^11,16^]heptadeca-2,4,6,11,13,15-hexaene
• Authors of publication: Vijayalakshmi. L; Parthasarathi. V; Narasinh Dodia; Anamik Shah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o212 - o213
• a: 17.7903 ± 0.0015 Å
• b: 5.5559 ± 0.0005 Å
• c: 18.032 ± 0.0017 Å
• α: 90°
• β: 94.815 ± 0.008°
• γ: 90°
• Cell volume: 1776 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.055
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No