The origin of the conformational preference of N,N'-diaryl-N,N'-dimethyl ureas.
Clayden, Jonathan; Hennecke, Ulrich; Vincent, Mark A.; Hillier, Ian H.; Helliwell, Madeleine; Physical chemistry chemical physics : PCCP 12 (2010) 15056–15064; doi:10.1039/c0cp00571a

data_7212903
_publ_section_title
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 The origin of the conformational preference of N,N'-diaryl-N,N'-dimethyl
 ureas.
;
_journal_issue                   45
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              15056
_journal_page_last               15064
_journal_paper_doi               10.1039/c0cp00571a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C19 H23 Cl N2 O'
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9347(16)
_cell_length_b                   12.250(2)
_cell_length_c                   16.332(3)
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_cell_volume                     1787.5(5)
_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_reflns_theta_min         2.08
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_exptl_crystal_F_000             704
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0418P)^2^+0.1070P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1787.5(6)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
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