Synthesis of ramariolide natural products and discovery of their targets in mycobacteria.
Lehmann, Johannes; Richers, Johannes; Pöthig, Alexander; Sieber, Stephan A.; Chemical communications (Cambridge, England) 53 (2016) 107–110; doi:10.1039/c6cc08365j

data_7119601
_publ_section_title
;
 Synthesis of ramariolide natural products and discovery of their targets
 in mycobacteria.
;
_journal_issue                   1
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              107
_journal_page_last               110
_journal_paper_doi               10.1039/c6cc08365j
_journal_volume                  53
_journal_year                    2016
_chemical_formula_moiety         'C16 H26 O4'
_chemical_formula_sum            'C16 H26 O4'
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_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2016-10-09 deposited with the CCDC.
2016-11-09 downloaded from the CCDC.
;
_cell_angle_alpha                87.277(8)
_cell_angle_beta                 84.938(8)
_cell_angle_gamma                89.485(8)
_cell_formula_units_Z            4
_cell_length_a                   5.3710(12)
_cell_length_b                   10.283(2)
_cell_length_c                   29.398(7)
_cell_measurement_reflns_used    9922
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.7780
_cell_measurement_theta_min      2.3690
_cell_volume                     1615.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2015)'
_computing_data_collection       'APEX III Control Software (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2015)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
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'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
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_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       ' \k-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'HELIOS optic'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0277
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_diffrn_reflns_limit_l_min       -36
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_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
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_exptl_crystal_colour            'clear colourless'
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_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       plate
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[\S^2^(FO^2^)+(0.0317P)^2^+0.9794P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5571
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_reflns_threshold_expression     I>2\s(I)
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