On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis
James B. Beil; N. Gabriel Lemcoff; Steven C. Zimmerman; Journal of the American Chemical Society 126 (2004) 13576–13577; doi:10.1021/ja045885j

data_4113083
_publ_section_title
;
 On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13576
_journal_page_last               13577
_journal_paper_doi               10.1021/ja045885j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C34 H36 O8'
_chemical_formula_weight         572.63
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.045(4)
_cell_angle_beta                 93.378(4)
_cell_angle_gamma                98.745(4)
_cell_formula_units_Z            2
_cell_length_a                   7.5396(16)
_cell_length_b                   13.197(3)
_cell_length_c                   14.701(3)
_cell_measurement_temperature    193(2)
_cell_volume                     1441.8(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0694
_diffrn_reflns_av_sigmaI/netI    0.0783
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15250
_diffrn_reflns_theta_full        25.36
_diffrn_reflns_theta_max         25.36
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.093
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_F_000             608
_refine_diff_density_max         0.190
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         5268
_refine_ls_number_restraints     347
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1036
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0602P)^2^+0.1508P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1304
_refine_ls_wR_factor_ref         0.1433
_reflns_number_gt                3020
_reflns_number_total             5268
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja045885jsi20040709_072535.cif
_cod_data_source_block           g00aa
_cod_original_cell_volume        1441.7(5)
_cod_database_code               4113083