<i>N</i>-{(<i>Z</i>)-2-[1-(Triisopropylsilyl)-1<i>H</i>-indol-3-yl]-2-(triisopropylsilyloxy)vinyl}-2-(3,4,5-trimethoxyphenyl)acetamide
Christian Peifer; Roland Selig; Schollmeyer, Dieter; Stefan Laufer; Acta Crystallographica Section E 63 (2007) o1266–o1268; doi:10.1107/S1600536807006514

data_2212487
_publ_section_title
<i>N</i>-{(<i>Z</i>)-2-[1-(Triisopropylsilyl)-1<i>H</i>-indol-3-yl]-2-(triisopropylsilyloxy)vinyl}-2-(3,4,5-trimethoxyphenyl)acetamide
_journal_coeditor_code           BT2267
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1266
_journal_page_last               o1268
_journal_paper_doi               10.1107/S1600536807006514
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C39 H62 N2 O5 Si2'
_chemical_formula_moiety         'C39 H62 N2 O5 Si2'
_chemical_formula_sum            'C39 H62 N2 O5 Si2'
_chemical_formula_weight         695.091
_chemical_melting_point          128.5
_chemical_name_common
;N-{(Z)-2-[1-(Triisopropylsilyl)-1H-indol-3-yl]-2-(triisopropylsilyloxy)vinyl}-2-
(3,4,5-trimethoxyphenyl)acetamide
;
_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                87.639(4)
_cell_angle_beta                 84.428(4)
_cell_angle_gamma                76.011(4)
_cell_formula_units_Z            2
_cell_length_a                   9.0114(13)
_cell_length_b                   14.886(2)
_cell_length_c                   16.023(2)
_cell_measurement_reflns_used    2764
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      2
_cell_volume                     2075.4(5)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1108
_diffrn_reflns_av_sigmaI/netI    0.1247
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19562
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    0.126
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULABS; Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.112
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.296
_refine_diff_density_min         -0.293
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.779
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         7301
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.793
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0761P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1263
_refine_ls_wR_factor_ref         0.1492
_reflns_number_gt                3296
_reflns_number_total             7301
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2267.cif
_cod_data_source_block           III
_cod_database_code               2212487
_cod_database_fobs_code          2212487