Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene
Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo; Organic Letters 4 (2002) 2261–; doi:10.1021/ol026119p

data_1507465
_publ_section_title
;
 Generation, Direct Observation, and Kinetics of Triplet
 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro-
 anthryl)phenylcarbene
;
_journal_issue                   13
_journal_name_full               'Organic Letters'
_journal_page_first              2261
_journal_paper_doi               10.1021/ol026119p
_journal_volume                  4
_journal_year                    2002
_chemical_formula_moiety         'C29 H38 '
_chemical_formula_sum            'C29 H38'
_chemical_formula_weight         386.62
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.578(9)
_cell_angle_beta                 78.647(5)
_cell_angle_gamma                82.30(1)
_cell_formula_units_Z            4
_cell_length_a                   11.355(3)
_cell_length_b                   11.344(2)
_cell_length_c                   18.115(5)
_cell_measurement_reflns_used    11235
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.1
_cell_volume                     2266.7(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9302
_diffrn_measured_fraction_theta_max 0.9302
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.143
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17315
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    0.063
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.133
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.29
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.316
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     594
_refine_ls_number_reflns         3707
_refine_ls_R_factor_gt           0.0980
_refine_ls_shift/su_max          0.2950
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.010Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1250
_reflns_number_gt                3707
_reflns_number_total             9628
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol026119p_s1.cif
_cod_data_source_block           '_iikubo56_________________'
_cod_original_cell_volume        2266.6(8)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C29 H38 '
_cod_database_code               1507465