Information card for entry 7216923

Structure parameters

• Formula: C26 H24 O6
• Calculated formula: C26 H24 O6
• SMILES: O(C)c1c2c(c(OC)cc1)C[C@@H]([C@H](C2)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1.O(C)c1c2c(c(OC)cc1)C[C@H]([C@@H](C2)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1
• Title of publication: Electro-organic reactions. Part 54. Quinodimethane chemistry. Part 2. Electrogeneration and reactivity of o-quinodimethanes
• Authors of publication: Utley, James H. P.; Ramesh, Shalini; Salvatella, Xavier; Szunerits, Sabine; Motevalli, Majid; Nielsen, Merete F.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 153
• a: 18.582 ± 0.005 Å
• b: 10.594 ± 0.004 Å
• c: 22.431 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4416 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.3221
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.637
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No