Phenol-selective mass spectrometric analysis of jet fuel
Zhu, Haoxuan; Janusson, Eric; Luo, Jingwei; Piers, James; Islam, Farhana; McGarvey, Bryce; Oliver, Allen Grayson; Granot, Ori; McIndoe, Jason Scott; The Analyst  (2017) –; doi:10.1039/C7AN00908A

data_1546734
_publ_section_title
;
 Phenol-selective mass spectrometric analysis of jet fuel
;
_journal_name_full               'The Analyst'
_journal_paper_doi               10.1039/C7AN00908A
_journal_year                    2017
_chemical_formula_moiety         'C18 H19 N2 O, F6 P'
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-07-19 deposited with the CCDC.
2017-07-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_measurement_method       'combination of \w and \f-scans '
_diffrn_radiation_monochromator  graphite
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0609P)^2^+2.8719P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2708
_reflns_number_total             3932
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_max   0.989
_shelx_res_checksum              19109