Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar Cycloaddition of Nitrilimines with Allenoates.
Liu, Honglei; Jia, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao; Organic letters 19 (2017) 4714–4717; doi:10.1021/acs.orglett.7b01961

data_1547563
_publ_section_title
;
 Synthesis of Spirobidihydropyrazole through Double 1,3-Dipolar
 Cycloaddition of Nitrilimines with Allenoates.
;
_journal_issue                   18
_journal_name_full               'Organic letters'
_journal_page_first              4714
_journal_page_last               4717
_journal_paper_doi               10.1021/acs.orglett.7b01961
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C40 H35 Br N4 O3'
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Olex2 1.2
(compiled 2017.07.20 svn.r3457 for OlexSys, GUI svn.r5370)
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_diffrn_ambient_temperature      173(2)
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'w=1/[\s^2^(Fo^2^)+(0.0535P)^2^+0.4145P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/current/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 
;
_cod_database_code               1547563
_shelx_shelxl_version_number     2016/6
_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 Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C18(H18A,H18B), C27(H27A,H27B)
2.b Aromatic/amide H refined with riding coordinates:
 C40(H40), C36(H36), C37(H37), C39(H39), C2(H2), C3(H3), C5(H5), C6(H6),
 C12(H12), C13(H13), C38(H38), C14(H14), C15(H15), C16(H16), C21(H21), C22(H22),
  C23(H23), C24(H24), C25(H25), C29(H29), C30(H30), C32(H32), C33(H33)
2.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C34(H34A,H34B,H34C)
;
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_shelx_hkl_checksum              72199
_olex2_submission_special_instructions 'No special instructions were received'