Information card for entry 7050815

Structure parameters

• Formula: C18 H23 Na O12
• Calculated formula: C18 H23 Na O12
• SMILES: [Na]123([OH]C)([OH]C)[O](C4=C(C5=C(C(=O)[C@@H]([C@H]5[C@@H]4C(=[O]2)OC)C(=O)OC)C(=O)OC)C(=[O]1)OC)[Na]12([OH]C)([OH]C)[O]3C3=C(C4=C(C(=O)[C@H]([C@@H]4[C@H]3C(=[O]2)OC)C(=O)OC)C(=O)OC)C(=[O]1)OC
• Title of publication: Schroeter and Vossen's red salt revealed
• Authors of publication: Djaidi, Djamal; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 614
• a: 9.68 ± 0.006 Å
• b: 10.925 ± 0.007 Å
• c: 11.553 ± 0.008 Å
• α: 66.78 ± 0.03°
• β: 73.38 ± 0.03°
• γ: 76.74 ± 0.03°
• Cell volume: 1066.4 ± 1.2 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No