Synthesis of substituted pyridines and pyridazines via ring closing metathesis.
Donohoe, Timothy J; Fishlock, Lisa P; Basutto, José A; Bower, John F; Procopiou, Panayiotis A; Thompson, Amber L; Chemical communications (Cambridge, England) 34 (2009) 3008–3010; doi:10.1039/b904363b

data_7104471
_publ_section_title
;
 Synthesis of substituted pyridines and pyridazines via ring closing
 metathesis.
;
_journal_issue                   21
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3008
_journal_page_last               3010
_journal_paper_doi               10.1039/b904363b
_journal_volume                  34
_journal_year                    2009
_chemical_absolute_configuration unk
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_chemical_formula_sum            'C7 H9 N O'
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_chemical_melting_point          ?
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_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
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_atom_sites_solution_primary     direct
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_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
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_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      5
_cell_volume                     2578.21(10)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001).'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_device_type  Area
_diffrn_measurement_method       \w
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_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_limit_k_min       -33
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_diffrn_reflns_limit_l_min       -11
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_diffrn_reflns_theta_max         27.468
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            clear_pale_colourless
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
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_refine_ls_shift/su_max          0.000596
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Method= Modified Sheldrick
w=1/[\s^2^(F^2^) + ( 0.04P)^2^ + 2.23P]
,where P=(max(Fo^2^,0) + 2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_reflns_limit_l_min              0
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_reflns_threshold_expression     I>2.0\s(I)
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_oxford_refine_ls_r_factor_ref   0.0320
_oxford_refine_ls_scale          0.5260(18)
_oxford_reflns_number_all        779
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title 5879
_cod_data_source_file            b904363b.txt
_cod_data_source_block           Compound-8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'F d d 2 '
_cod_original_formula_sum        'C7 H9 N1 O1'
_cod_database_code               7104471