Information card for entry 2202381

Structure parameters

• Chemical name: 9, 17-Dioxa-1,3-dithiatetracyclo[18. 2. 2. 2^23, 24^. 1^25^] heptacosan-5, 7, 11,13, 15 (25), 18, 20, 23, 26 nonene
• Formula: C23 H22 O2 S2
• Calculated formula: C23 H22 O2 S2
• SMILES: S1Cc2ccc(OCc3cc(ccc3)COc3ccc(CSC1)cc3)cc2
• Title of publication: 9,17-Dioxa-1,3-dithiatetracyclo[18.2.2.2^23,24^.1^25^]heptacosa-5,7,11,13,15-(25),18,20,23,26-nonene
• Authors of publication: P. G. Aravindan; D. Velmurugan; M. Dhanasekaran; P. Rajakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1677 - o1679
• a: 9.995 ± 0.005 Å
• b: 10.372 ± 0.007 Å
• c: 10.508 ± 0.005 Å
• α: 101.84 ± 0.05°
• β: 91.14 ± 0.05°
• γ: 109.01 ± 0.05°
• Cell volume: 1003.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes