Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.
Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.; Organic letters 19 (2017) 4110–4113; doi:10.1021/acs.orglett.7b01898

data_1546592
_publ_section_title
;
 Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines
 and Ureas.
;
_journal_issue                   15
_journal_name_full               'Organic letters'
_journal_page_first              4110
_journal_page_last               4113
_journal_paper_doi               10.1021/acs.orglett.7b01898
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C24 H27 N3 O4'
_chemical_formula_sum            'C24 H27 N3 O4'
_chemical_formula_weight         421.5
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_symmetry_cell_setting           tetragonal
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_cell_length_c                   11.1220(9)
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_cell_measurement_temperature    293
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_diffrn_ambient_temperature      293
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_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_unetI/netI     0.0177
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
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_diffrn_reflns_theta_full        27.69
_diffrn_reflns_theta_max         27.69
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.087
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_exptl_crystal_description       needle
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_exptl_crystal_size_max          .37
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_parameters     275
_refine_ls_number_reflns         1867
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_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.0974
_refine_ls_shift/su_mean         0.0284
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0500
_reflns_number_gt                1167
_reflns_number_total             1444
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ol7b01898_si_004.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1546591--1546592.cif.
;
_cod_original_cell_volume        4410.3
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_database_code               1546592