Catalytic Enantioselective Desymmetrization of 1,3-Diazido-2-propanol via Intramolecular Interception of Alkyl Azides with Diazo(aryl)acetates.
Wu, Xiu-Ping; Su, Yan; Gu, Peiming; Organic letters 16 (2014) 5339–5341; doi:10.1021/ol502608d

data_1517959
_publ_section_title
;
 Catalytic Enantioselective Desymmetrization of 1,3-Diazido-2-propanol via
 Intramolecular Interception of Alkyl Azides with Diazo(aryl)acetates.
;
_journal_issue                   20
_journal_name_full               'Organic letters'
_journal_page_first              5339
_journal_page_last               5341
_journal_paper_doi               10.1021/ol502608d
_journal_volume                  16
_journal_year                    2014
_chemical_absolute_configuration none
_chemical_formula_moiety         'C11 H9 Cl N4 O2'
_chemical_formula_sum            'C11 H9 Cl N4 O2'
_chemical_formula_weight         264.67
_chemical_name_systematic
;
 ?
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_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
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_symmetry_space_group_name_Hall  'P 1'
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Olex2 1.2
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_computing_cell_refinement
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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,
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
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_diffrn_reflns_theta_max         28.523
_diffrn_reflns_theta_min         3.337
_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'
_exptl_crystal_density_diffrn    1.494
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 Flack x determined using 610 quotients [(I+)-(I-)]/[(I+)+(I-)]
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 w=1/[\s^2^(Fo^2^)+(0.0542P)^2^+0.0375P]
 where P=(Fo^2^+2Fc^2^)/3
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_cod_depositor_comments
'Adding full bibliography for 1517959--1517960.cif.'
_cod_original_cell_volume        588.54(15)
_cod_database_code               1517959
_shelxl_version_number           2013-2
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C9(H9), C20(H20)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C21(H21A,H21B), C22(H22A,H22B)
2.c Aromatic/amide H refined with riding coordinates:
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