Information card for entry 7055353

Structure parameters

• Formula: C42 H26 Fe O4
• Calculated formula: C42 H26 Fe O4
• SMILES: [Fe]12345678([cH]9[c]2([cH]3[cH]4[cH]89)/C=C/c2cc3C(=O)c4c(C(=O)c3cc2)cccc4)[cH]2[cH]5[cH]7[cH]1[c]62/C=C/c1cc2C(=O)c3c(cccc3)C(=O)c2cc1
• Title of publication: PCl3-mediated synthesis of green/cyan fluorescent protein chromophores using amino acids
• Authors of publication: Singh, Thokchom Prasanta; Shunmugam, Raja
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 3024
• a: 7.245 ± 0.005 Å
• b: 32.443 ± 0.005 Å
• c: 11.885 ± 0.005 Å
• α: 90 ± 0.005°
• β: 94.522 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2785 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3751
• Residual factor for significantly intense reflections: 0.1386
• Weighted residual factors for significantly intense reflections: 0.2555
• Weighted residual factors for all reflections included in the refinement: 0.3588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No