Intramolecular formal [4+2] cycloaddition of 3-ethoxycyclobutanones and alkenes.
Matsuo, Jun-Ichi; Sasaki, Shun; Hoshikawa, Takaya; Ishibashi, Hiroyuki; Chemical communications (Cambridge, England) 46 (2010) 934–936; doi:10.1039/b919332d

data_7105199
_publ_section_title
;
 Intramolecular formal [4+2] cycloaddition of 3-ethoxycyclobutanones
 and alkenes.
;
_journal_issue                   6
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              934
_journal_page_last               936
_journal_paper_doi               10.1039/b919332d
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C23 H26 O2 '
_chemical_formula_sum            'C23 H26 O2'
_chemical_formula_weight         334.46
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.000(2)
_cell_angle_beta                 112.789(2)
_cell_angle_gamma                90.000(2)
_cell_formula_units_Z            4
_cell_length_a                   10.286(3)
_cell_length_b                   16.713(4)
_cell_length_c                   11.099(3)
_cell_measurement_reflns_used    8294
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      3.2
_cell_volume                     1759.0(7)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      123.2
_diffrn_detector_area_resol_mean 14.46
_diffrn_measured_fraction_theta_full 0.8552
_diffrn_measured_fraction_theta_max 0.8552
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.136
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            19979
_diffrn_reflns_theta_full        30.52
_diffrn_reflns_theta_max         30.52
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             720.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2609
_refine_ls_R_factor_gt           0.0792
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00212|Fo|^2^]'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b919332d.txt
_cod_data_source_block           '_matsuo4'
_cod_original_formula_sum        'C23 H26 O2 '
_cod_database_code               7105199