Information card for entry 4330255

Structure parameters

• Formula: C18 H30 B Cu F4 N3 O2
• Calculated formula: C18 H30 B Cu F4 N3 O2
• Title of publication: Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase
• Authors of publication: Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9465 - 9480
• a: 11.9825 ± 0.0005 Å
• b: 12.697 ± 0.0005 Å
• c: 14.8164 ± 0.0006 Å
• α: 90°
• β: 109.849 ± 0.0014°
• γ: 90°
• Cell volume: 2120.27 ± 0.15 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No