Chemical reactivity of hydroxymethylnaphthols: hetero-Diels–Alder products of o-naphthoquinomethides derived from 2- and 3-hydroxymethylnaphthols
Ashram, Muhammad; Miller, David O.; Georghiou, Paris E.; Journal of the Chemical Society, Perkin Transactions 1  (2002) 1470–; doi:10.1039/b200893a

data_7205017
_publ_section_title
;
 Chemical reactivity of hydroxymethylnaphthols: hetero-Diels--Alder
 products of o-naphthoquinomethides derived from 2- and
 3-hydroxymethylnaphthols
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              1470
_journal_paper_doi               10.1039/b200893a
_journal_year                    2002
_chemical_formula_sum            'C24 H14 Br2 O3'
_chemical_formula_weight         510.18
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.647(2)
_cell_angle_gamma                90
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_cell_length_b                   31.618(1)
_cell_length_c                   16.619(1)
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_cell_measurement_temperature    299.2
_cell_measurement_theta_max      29.6
_cell_measurement_theta_min      23.8
_cell_volume                     3816.5(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_publication_material
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_refinement
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_solution
;
SHELX97 (Sheldrick, 1997)
;
_diffrn_ambient_temperature      299.2
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_diffrn_measurement_method       \w-2\q
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;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            yellow
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_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00008|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
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_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b200893a.txt
_cod_data_source_block           dmh-51-3
_cod_original_cell_volume        3816.7(5)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C24 H14 Br2 O3 '
_cod_database_code               7205017