Synthesis of five-membered cyclic nitrones based on the Lewis acid-catalysed [3+2]-annulation reaction of donor-acceptor cyclopropanes with 1,4,2-dioxazoles.
Wang, Zhe-Hao; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun; Chemical communications (Cambridge, England) 54 (2018) 10128–10131; doi:10.1039/c8cc04656e

data_7122211
_publ_section_title
;
 Synthesis of five-membered cyclic nitrones based on the Lewis
 acid-catalysed [3+2]-annulation reaction of donor-acceptor cyclopropanes
 with 1,4,2-dioxazoles.
;
_journal_issue                   72
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              10128
_journal_page_last               10131
_journal_paper_doi               10.1039/c8cc04656e
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C20 H19 N O5'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
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Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
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2018-02-01 deposited with the CCDC.
2018-08-13 downloaded from the CCDC.
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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  1 omega   -6.00   88.00   2.0000    6.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega   -7.00   67.00   2.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867   38.0000  -60.0000 37

  3 omega    1.00   61.00   2.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -99.0000  -60.0000 30

  4 omega   19.00   63.00   2.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -99.0000  150.0000 22

  5 omega  -29.00   95.00   2.0000    6.0000
omega____ theta____ kappa____ phi______ frames
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_diffrn_orient_matrix_UB_33      -0.0040302000
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_unetI/netI     0.0877
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_theta_max         26.016
_diffrn_reflns_theta_min         3.505
_diffrn_source                   'SuperNova (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'clear light colourless'
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'w=1/[\s^2^(Fo^2^)+(0.0859P)^2^+0.0290P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7122210--7122211.cif.'
_cod_original_cell_volume        876.3(5)
_cod_database_code               7122211
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16)
2.d Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C20(H20A,H20B,H20C)
;
_olex2_date_sample_data_collection 2017-04-26
_olex2_submission_special_instructions 'No special instructions were received'