Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.
Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier; The Journal of organic chemistry 83 (2018) 898–912; doi:10.1021/acs.joc.7b02900

data_4033336
_publ_section_title
;
 Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl
 Tetrahydro-\b-carbolines to Allenes.
;
_journal_issue                   2
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              898
_journal_page_last               912
_journal_paper_doi               10.1021/acs.joc.7b02900
_journal_volume                  83
_journal_year                    2018
_chemical_formula_moiety         'C20 H24 N2 O'
_chemical_formula_sum            'C20 H24 N2 O'
_chemical_formula_weight         308.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   mixed
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_atom_sites_solution_secondary   difmap
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Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                90
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_computing_cell_refinement
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CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)
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CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)
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CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)
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_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
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scan:
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scan:
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scan:
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scan:
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       Rotation axis: Omega
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scan:
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AFC12 (Right): Kappa 3 circle
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Rigaku Pilatus 200K
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_diffrn_reflns_theta_min         3.904
_diffrn_source                   MicroMax003_Mo
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+0.9835P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_block           xg-1304_cmpd_13g
_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/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 4033334--4033336.cif.
;
_cod_database_code               4033336
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H17C,H17D,H1B} of C17B, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  {H10D,H10E,H10F} of C10B, {H10A,H10B,H10C} of C10A
2.a Ternary CH refined with riding coordinates:
 C2A(H2AA), C5A(H5A), C14A(H14A), C2B(H2B), C5B(H5B), C14B(H14B)
2.b Secondary CH2 refined with riding coordinates:
 C3A(H3AA,H3AB), C4A(H4AA,H4AB), C8A(H8AA,H8AB), C9A(H9AA,H9AB), C15A(H15A,
 H15B), C3B(H3BA,H3BB), C4B(H4BA,H4BB), C8B(H8BA,H8BB), C9B(H9BA,H9BB),
 C15B(H15C,H15D)
2.c Aromatic/amide H refined with riding coordinates:
 C22B(H22B), C22A(H22A), C21B(H21B), C21A(H21A), C20A(H20A), C19A(H19A),
 C20B(H20B), C19B(H19B), C16A(H16A), C16B(H16B)
2.d X=CH2 refined with riding coordinates:
 C17A(H17A,H17B), C17B(H17C,H17D)
2.e Idealised Me refined as rotating group:
 C10A(H10A,H10B,H10C), C10B(H10D,H10E,H10F)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'