(1<i>R</i>,6<i>R</i>,13<i>R</i>,18<i>R</i>)-(<i>Z</i>,<i>Z</i>)-1,18-Bis[(4<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethylene-8,20-diazadispiro[5.6.5.6]tetracosa-7,19-diene
Guéret, Stéphanie M.; Boyd, Peter D. W.; Brimble, Margaret A.; Acta Crystallographica Section E 66 (2010) o1778–o1779; doi:10.1107/S1600536810023998

data_2226412
_publ_section_title
;
 (1<i>R</i>,6<i>R</i>,13<i>R</i>,18<i>R</i>)-(<i>Z</i>,<i>Z</i>)-1,18-Bis[(4<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethylene-8,20-diazadispiro[5.6.5.6]tetracosa-7,19-diene
;
_journal_coeditor_code           DN2578
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1778
_journal_page_last               o1779
_journal_paper_doi               10.1107/S1600536810023998
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C34 H54 N2 O4'
_chemical_formula_moiety         'C34 H54 N2 O4'
_chemical_formula_sum            'C34 H54 N2 O4'
_chemical_formula_weight         554.80
_chemical_name_systematic
;
(1<i>R</i>,6<i>R</i>,13<i>R</i>,18<i>R</i>)-(<i>Z</i>,<i>Z</i>)-
1,18-Bis[(4<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethylene-
8,20-diazadispiro[5.6.5.6]tetracosa-7,19-diene
;
_space_group_IT_number           1
_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                79.1430(10)
_cell_angle_beta                 88.0430(10)
_cell_angle_gamma                83.8550(10)
_cell_formula_units_Z            1
_cell_length_a                   6.87100(10)
_cell_length_b                   10.1701(2)
_cell_length_c                   11.7947(2)
_cell_measurement_reflns_used    6455
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      1.76
_cell_volume                     804.71(2)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia,
1997) and
Mercury (Macrae <i>et al.</i>,  2006)
;
_computing_publication_material
'WinGX (Farrugia, 1999) and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       '\w scans'
_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  0.0423
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19146
_diffrn_reflns_theta_full        27.92
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         1.76
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.145
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             304
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.277
_refine_diff_density_min         -0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         3824
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.924
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0345
_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^)+(0.0645P)^2^+0.1019P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0877
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                3555
_reflns_number_total             3824
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2578.cif
_cod_data_source_block           I
_cod_database_code               2226412
_cod_database_fobs_code          2226412