Multifaceted glycodendrimers with programmable bioactivity through convergent, divergent, and accelerated approaches using polyfunctional cyclotriphosphazenes
Abbassi, Leïla; Chabre, Yoann M.; Kottari, Naresh; Arnold, Alexandre A.; André, Sabine; Josserand, Johan; Gabius, Hans-Joachim; Roy, René; Polym. Chem. 6 (2015) 7666–; doi:10.1039/C5PY01283J

data_1530696
_publ_section_title
;
 Multifaceted glycodendrimers with programmable bioactivity through
 convergent, divergent, and accelerated approaches using polyfunctional
 cyclotriphosphazenes
;
_journal_issue                   44
_journal_name_full               'Polym. Chem.'
_journal_page_first              7666
_journal_paper_doi               10.1039/C5PY01283J
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C27 H21 N1.50 O6 P1.50'
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_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-07-27 deposited with the CCDC.
2015-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.235(2)
_cell_angle_gamma                90
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_cell_length_a                   18.901(2)
_cell_length_b                   7.5595(9)
_cell_length_c                   17.833(2)
_cell_measurement_reflns_used    5832
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.31
_cell_volume                     2375.0(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14096
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.983
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_diffrn_reflns_theta_max         27.669
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_exptl_absorpt_correction_T_min  0.7066
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_exptl_crystal_description       plate
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_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.041
_refine_ls_abs_structure_details
; 
 Flack x determined using 2116 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   0.07(3)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[\s^2^(Fo^2^)+(0.0329P)^2^+0.6412P] 
 where P=(Fo^2^+2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0693
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_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.972
_reflns_number_gt                5004
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_yoann1_0m
_cod_depositor_comments          'Adding full bibliography for 1530696.cif.'
_cod_original_cell_volume        2374.9(5)
_cod_original_formula_sum        'C27 H21 N1.50 O6 P1.50'
_cod_database_code               1530696
_shelx_estimated_absorpt_t_min   0.894
_shelx_estimated_absorpt_t_max   0.977
_shelxl_version_number           2013-2
_shelx_res_checksum              49804