Information card for entry 2300048

Structure parameters

• Formula: C18 H18 Fe O
• Calculated formula: C18 H18 Fe O
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1ccc(cc1)[C@H](O)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: A wide-bandpass multilayer monochromator and its application to the determination of absolute structure
• Authors of publication: T. Koganezawa; K. Uno; H. Iwasaki; N. Nakamura; Y. Yoshimura; T. Shoji
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2004
• Journal volume: 37
• Journal issue: 1
• Pages of publication: 136 - 142
• a: 29.042 ± 0.002 Å
• b: 5.946 ± 0.003 Å
• c: 16.753 ± 0.002 Å
• α: 90°
• β: 90.587 ± 0.008°
• γ: 90°
• Cell volume: 2892.8 ± 1.5 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes