Information card for entry 4033195

Structure parameters

• Formula: C30 H30 O6
• Calculated formula: C30 H30 O6
• SMILES: c1c2C(=O)C=C(C(=O)c2c(cc1CCCCC)O)C1=CC(=O)c2cc(cc(c2C1=O)O)CCCCC
• Title of publication: Synthetic Method to Form 2,2'-Bis(naphthoquinone) Compounds.
• Authors of publication: Jha, Vishwajeet; Goyal, Navneet; Stevens, Cheryl K.; Stevens, Edwin; Sridhar, Jayalakshmi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 24
• Pages of publication: 13686 - 13692
• a: 18.844 ± 0.003 Å
• b: 5.5118 ± 0.0009 Å
• c: 12.7313 ± 0.0016 Å
• α: 90°
• β: 107.388 ± 0.006°
• γ: 90°
• Cell volume: 1261.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No