Information card for entry 2104559

Structure parameters

• Chemical name: meso-2,2,7,7-Tetramethyl-4,5-bis(1,4,4-trimethyl-3-oxopent-1-en-1-ylamino)- octane-3,6-dione
• Formula: C28 H48 N2 O4
• Calculated formula: C28 H12 N2 O4
• SMILES: CC(=C/C(C(C)(C)C)=O)/N[C@H](C(C(C)(C)C)=O)[C@H](C(C(C)(C)C)=O)N\C(=C/C(C(C)(C)C)=O)C
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 6.627 ± 0.0008 Å
• b: 10.997 ± 0.0002 Å
• c: 11.606 ± 0.0002 Å
• α: 97.894 ± 0.008°
• β: 102.044 ± 0.009°
• γ: 106.543 ± 0.009°
• Cell volume: 775.29 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No