Room temperature olefination of methane with titanium-carbon multiple bonds.
Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Chemical science 9 (2018) 3376–3385; doi:10.1039/c7sc05238c

data_1548906
_publ_section_title
;
 Room temperature olefination of methane with titanium-carbon multiple
 bonds.
;
_journal_issue                   13
_journal_name_full               'Chemical science'
_journal_page_first              3376
_journal_page_last               3385
_journal_paper_doi               10.1039/c7sc05238c
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety         'C52 H57 N O2 P2 S2 Ti'
_chemical_formula_sum            'C52 H57 N O2 P2 S2 Ti'
_chemical_formula_weight         901.94
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     geom
_atom_sites_solution_secondary   direct
_audit_creation_date             2017-09-23
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3461 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2017-12-08 deposited with the CCDC.
2018-02-13 downloaded from the CCDC.
;
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_cell_angle_beta                 102.751(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_measurement_temperature    100(1)
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_cell_measurement_theta_min      2.236
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_diffrn_ambient_temperature      100(1)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'CCD area detector'
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_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_number            102996
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_min         1.459
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'Re-crystallisation from solvent: toluene/hexane'
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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^)+(0.0403P)^2^+2.7803P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
'Adding full bibliography for 1548906--1548907.cif.'
_cod_database_code               1548906
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'