Synthesis and bioactivity of labelled germination stimulants for the isolation and identification of the strigolactone receptor
Anat Reizelman; Suzanne C. M. Wigchert; Cinzia del-Bianco; Binne Zwanenburg; Org. Biomol. Chem. 1 (2003) 950–959; doi:10.1039/b210678g

data_7150461
_publ_section_title
;
 Synthesis and bioactivity of labelled germination stimulants for the
 isolation and identification of the strigolactone receptor
;
_journal_issue                   6
_journal_name_full               'Org. Biomol. Chem.'
_journal_page_first              950
_journal_page_last               959
_journal_paper_doi               10.1039/b210678g
_journal_volume                  1
_journal_year                    2003
_chemical_formula_sum            'C22 H23 N O7'
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_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3201(4)
_cell_length_b                   12.5782(4)
_cell_length_c                   17.9679(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      45.115
_cell_measurement_theta_min      22.177
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_computing_data_collection
;
CAD4 EXPRESS (Enraf-Nonius, 1994)
;
_computing_data_reduction
;
local programs (Smits et al., 1988),
profile analysis (Lehman & Larsen, 1974, Grant & Gabe, 1978),
EMPABS (North et al., 1968)
;
_computing_molecular_graphics
;
PLUTON (Spek, 1993),
PLATON (Spek, 1990, 1995)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
CRUNCH (de Gelder et al., 1993),
;
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Nonius CAD4'
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_theta_min         4.29
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'regular rod'
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_exptl_crystal_size_mid          0.12
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_number_reflns         2282
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_refine_ls_R_factor_all          0.0484
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_refine_ls_R_factor_obs          0.0397
_refine_ls_shift/esd_max         0.000
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w=1/[\s^2^(Fo^2^)+(0.0776P)^2^+0.1405P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1169
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_obs         0.1094
_refine_ls_wR_factor_ref         0.1169
_reflns_number_gt                1967
_reflns_number_observed          1967
_reflns_number_total             2282
_reflns_observed_criterion       >2sigma(I)
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210678g.txt
_cod_data_source_block           WIG1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (100
times).

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (56 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2106.38(11)
_cod_database_code               7150461