Information card for entry 1508261

Structure parameters

• Common name: PDP-acid
• Formula: C27 H44 O5
• Calculated formula: C27 H44 O5
• SMILES: O(c1cc(CCCCCCCCCCCCCCC)ccc1)CCOC(=O)CCC(=O)O
• Title of publication: Amphiphilic diblocks sorting into multivesicular bodies and their fluorophore encapsulation capabilities.
• Authors of publication: Kashyap, Smita; Jayakannan, M.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2012
• Journal volume: 116
• Journal issue: 32
• Pages of publication: 9820 - 9831
• a: 10.795 ± 0.011 Å
• b: 20.28 ± 0.02 Å
• c: 24.74 ± 0.03 Å
• α: 85.3 ± 0.03°
• β: 85.82 ± 0.03°
• γ: 75.68 ± 0.02°
• Cell volume: 5222 ± 10 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2381
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2338
• Weighted residual factors for all reflections included in the refinement: 0.3195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No