Information card for entry 4026270

Structure parameters

• Formula: C37 H48 O4
• Calculated formula: C37 H48 O4
• SMILES: O(c1c(cc(OC)c(c1)/C=C/c1c(OCCCCCC)ccc(OC)c1)/C=C/c1ccc(C)cc1)CCCCCC
• Title of publication: Synthesis and Fluorescence Characterization of MEHPPV Oligomers
• Authors of publication: Andrew J. Tilley; Stephen M. Danczak; Christine Browne; Timothy Young; Tina Tan; Kenneth P. Ghiggino; Trevor A. Smith; Jonathan White
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3372 - 3380
• a: 7.3168 ± 0.0012 Å
• b: 14.561 ± 0.002 Å
• c: 15.378 ± 0.003 Å
• α: 88.274 ± 0.013°
• β: 79.914 ± 0.014°
• γ: 80.603 ± 0.014°
• Cell volume: 1591.4 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1811
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.672
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No