Information card for entry 7213011

Structure parameters

• Formula: C52 H56 O10
• Calculated formula: C52 H56 O10
• SMILES: O([C@H]1[C@@H](OCc2ccc(OC)cc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OC(=O)[C@]12OC(=O)[C@](CC1)(C2(C)C)C)Cc1ccccc1
• Title of publication: General synthesis of 3-phosphorylated myo-inositol phospholipids and derivatives
• Authors of publication: Painter, Gavin F.; Grove, Simon J. A.; Gilbert, Ian H.; Holmes, Andrew B.; Raithby, Paul R.; Hill, Malcolm L.; Hawkins, Phillip T.; Stephens, Leonard R.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 8
• Pages of publication: 923
• a: 6.164 ± 0.009 Å
• b: 14.114 ± 0.005 Å
• c: 14.378 ± 0.005 Å
• α: 64.94 ± 0.04°
• β: 86.34 ± 0.04°
• γ: 80.33 ± 0.04°
• Cell volume: 1117 ± 1.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No