Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.
Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang; The Journal of organic chemistry 79 (2014) 10123–; doi:10.1021/jo501755x

data_4030097
_publ_section_title
;
 Variants of the Prins cyclization for the synthesis of terpenoid
 spiroethers and oxabicyclo[3.3.1]nonane-derivatives.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              10123
_journal_paper_doi               10.1021/jo501755x
_journal_volume                  79
_journal_year                    2014
_chemical_formula_moiety         'C17 H22 O'
_chemical_formula_sum            'C17 H22 O'
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_chemical_melting_point          71.0(10)
_chemical_name_systematic
; 
1-methyl-14-oxatetracyclo[11.3.1.0.0]heptadeca-2,4,6-triene
;
_space_group_IT_number           14
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4127
_diffrn_measured_fraction_theta_full 0.995
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_theta_max         76.37
_diffrn_reflns_theta_min         4.91
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
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CrysAlisPro, Agilent Technologies,
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(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_density_meas      ?
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_exptl_crystal_description       block
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
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_refine_ls_R_factor_all          0.0361
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0537P)^2^+0.3897P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0968
_refine_ls_wR_factor_ref         0.0978
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '70-72' was changed to '71.0(10)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4030095--4030097.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4030097