Electroformed Giant Vesicles from Thiophene-Containing Rod−Coil Diblock Copolymers
Vriezema, Dennis M.; Kros, Alexander; de Gelder, René; Cornelissen, Jeroen J. L. M.; Rowan, Alan E.; Nolte, Roeland J. M.; Macromolecules 37 (2004) 4736–; doi:10.1021/ma035789n

data_1506855
_publ_contact_author
;
        Dr. R. de Gelder
        Crystallography Department
        University of Nijmegen
        Toernooiveld 1
        6525 ED  Nijmegen
        The Netherlands
;
_publ_section_title
;
 Electroformed Giant Vesicles from Thiophene-Containing Rod&#x2212;Coil
 Diblock Copolymers
;
_journal_issue                   12
_journal_name_full               Macromolecules
_journal_page_first              4736
_journal_paper_doi               10.1021/ma035789n
_journal_volume                  37
_journal_year                    2004
_chemical_formula_sum            'C10 H12 N2 O S'
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_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   geom
_atom_sites_solution_primary     direct
_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                   4.7799(6)
_cell_length_b                   9.3152(9)
_cell_length_c                   24.7353(19)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.792
_cell_measurement_theta_min      9.740
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_computing_data_collection
;
CAD4 EXPRESS (Enraf-Nonius, 1994)
;
_computing_data_reduction
;
local programs (Smits et al., 1988),
profile analysis (Lehman & Larsen, 1974, Grant & Gabe, 1978),
EMPABS (North et al., 1968)
;
_computing_molecular_graphics
;
PLUTON (Spek, 1993),
PLATON (Spek, 1990, 1995)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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;
CRUNCH (de Gelder et al., 1993),
;
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_diffrn_measurement_device       'Nonius CAD4'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_max       0
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w=1/[\s^2^(Fo^2^)+(0.0775P)^2^+0.1131P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1728
_refine_ls_wR_factor_gt          0.1336
_refine_ls_wR_factor_obs         0.1336
_refine_ls_wR_factor_ref         0.1728
_reflns_number_gt                723
_reflns_number_observed          723
_reflns_number_total             1512
_reflns_observed_criterion       >2sigma(I)
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ma035789nsi20031128_044434.cif
_cod_data_source_block           VRIEZ1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (17
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (23 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1101.37(19)
_cod_database_code               1506855