Information card for entry 7105624

Structure parameters

• Common name: Isopropylidine C2 Ceramide
• Chemical name: Isopropylidine C2 Ceramide
• Formula: C23 H43 N O3
• Calculated formula: C23 H43 N O3
• SMILES: O=C(N[C@@H]1COC(O[C@H]1/C=C/CCCCCCCCCCCCC)(C)C)C
• Title of publication: Ceramide-mediated transport of chloride and bicarbonate across phospholipid membranes.
• Authors of publication: Harrell, Jr, William A; Bergmeyer, Marie Liesel; Zavalij, Peter Y.; Davis, Jeffery T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 3950 - 3952
• a: 8.9474 ± 0.0016 Å
• b: 9.1515 ± 0.0016 Å
• c: 29.391 ± 0.005 Å
• α: 87.563 ± 0.002°
• β: 82.486 ± 0.002°
• γ: 88.842 ± 0.002°
• Cell volume: 2383.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No