Information card for entry 7106509

Structure parameters

• Formula: C51 H84 F4 N2 O9 P2
• Calculated formula: C51 H84 F4 N2 O9 P2
• SMILES: P(=O)(OCC[N+](C)(C)C)(OCCC1CCC(C2CCC(c3cc(F)c(F)cc3)CC2)CC1)[O-].OC
• Title of publication: Phospholipids with a stimuli-responsive thermotropic liquid-crystalline moiety
• Authors of publication: Kiyoshi Kanie; Junji Sekiguchi; Xiangbing Zeng.; Goran Ungar; Atsushi Muramatsu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6885
• a: 11.057 ± 0.004 Å
• b: 12.834 ± 0.005 Å
• c: 19.13 ± 0.007 Å
• α: 95.729 ± 0.006°
• β: 90.211 ± 0.005°
• γ: 99.258 ± 0.006°
• Cell volume: 2665.4 ± 1.7 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No