Two-step synthesis of homochiral monoaminals of tricarbonylphthalaldehydechromium complex
Rose-Munch, Françoise; Gagliardini, Vanessa; Perrotey, Anne; Tranchier, Jean-Philippe; Rose, Eric; Mangeney, Pierre; Alexakis, Alexandre; Kanger, Tonis; Vaissermann, Jacqueline; Chemical Communications  (1999) 2061–; doi:10.1039/a906043j

data_7110667
_publ_contact_author
;
Dr Francoise Rose-Munch, lab. Synthese Organique et Organometallique, 
UMR 7611 CNRS, Universite Pierre et Marie Curie, 4 place Jussieu, case 181 
75252 Paris cedex 05 France
;
_publ_section_title
;
 Two-step synthesis of homochiral monoaminals of
 tricarbonylphthalaldehydechromium complex
;
_journal_issue                   20
_journal_name_full               'Chemical Communications'
_journal_page_first              2061
_journal_paper_doi               10.1039/a906043j
_journal_year                    1999
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C27 H24 Cr1 O4 N2 '
_chemical_formula_sum            'C27 H24 Cr N2 O4'
_chemical_formula_weight         492.49
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     'Patterson and Fourier maps'
_audit_creation_date             99-07-28
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.333(2)
_cell_length_b                   14.455(3)
_cell_length_c                   22.976(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      14
_cell_measurement_theta_min      12
_cell_volume                     2435.4(9)
_computing_cell_refinement       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_reduction
;
RC93 (Watkin, D.J., Prout, C.K., Lilley, P.M.deQ. 1994)
;
_computing_molecular_graphics
;
 CAMERON (Watkin, Prout & Pearce,  1996)
;
_computing_publication_material
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_refinement
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_diffrn_ambient_temperature      295
_diffrn_measurement_device       '  Enraf-nonius CAD4 '
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_monochromator  ' graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2492
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        <5
_diffrn_standards_interval_time  3600s
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.49
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'red  '
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_description       ' prism '
_exptl_crystal_F_000             1025.34
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.28
_refine_ls_extinction_coef       45.3
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_obs   2.0941
_refine_ls_hydrogen_treatment
;
 only one overall isotropic thermal parameter refined
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         1771
_refine_ls_R_factor_obs          0.0442
_refine_ls_shift/esd_max         0.388446
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0438
_reflns_limit_h_max              8
_reflns_limit_h_min              0
_reflns_limit_k_max              17
_reflns_limit_k_min              0
_reflns_limit_l_max              27
_reflns_limit_l_min              0
_reflns_number_observed          1771
_reflns_number_total             2466
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            906043jsup1.cif
_cod_data_source_block           CRYSTALS_cif
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '295K' was changed to '295' - the
value should be numeric and without a unit
designator.

'_symmetry_cell_setting' value 'orthorhombic ' changed
to 'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from
2011-04-26.

'_refine_ls_matrix_type' value ' full' changed to 'full'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '
unit weights' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value ' Difference Fourier map' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        2435.5(8)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        ' C27 H24 Cr1 O4 N2 '
_cod_database_code               7110667