Solid acetone structure dependence on pressure: a new fibre textured thin film crystallographic structure studied by grazing-incidence X-ray diffraction
Ferrer, P.; da Silva, I.; Puente-Orench, I.; CrystEngComm 18 (2016) 8220–; doi:10.1039/C6CE01333C

data_7226608
_publ_section_title
;
 Solid acetone structure dependence on pressure: a new fibre textured thin
 film crystallographic structure studied by grazing-incidence X-ray
 diffraction
;
_journal_issue                   42
_journal_name_full               CrystEngComm
_journal_page_first              8220
_journal_paper_doi               10.1039/C6CE01333C
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C3 O'
_chemical_formula_sum            'C3 O'
_chemical_formula_weight         52.03
_chemical_name_mineral           Acetone
_chemical_name_systematic        Acetone
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2016-08-25 deposited with the CCDC.
2016-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 95.100
_cell_angle_gamma                90.000
_cell_formula_units_Z            16
_cell_length_a                   22.26800
_cell_length_b                   8.67000
_cell_length_c                   7.99000
_cell_measurement_reflns_used    25
_cell_measurement_temperature    120
_cell_measurement_theta_max      8.945
_cell_measurement_theta_min      4.045
_cell_volume                     1536.471
_computing_data_reduction
;
Fibrefix (G. Rajkumar, H.A. AL-Khayat, F. Eakins, 
C. Knuppa and J.M. Squirea, J. Appl. Cryst., 2007, 40, 178)
;
_computing_structure_solution    'FOX http://objcryst.sourceforge.net'
_diffrn_ambient_temperature      120
_diffrn_detector                 'CCD Area detector'
_diffrn_detector_area_resol_mean 30
_diffrn_detector_type            'Photonic Science'
_diffrn_measurement_device_type  'ESRF - BM25 Six circles diffractometer'
_diffrn_measurement_method       'Grazing Incidence X-ray Diffraction image'
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.826
_diffrn_source                   Synchrotron
_exptl_crystal_density_diffrn    0.900
_exptl_crystal_description       'thin film'
_exptl_crystal_preparation
;
Thin film of acetone, grown by chemical vapour deposition technique on top of a 
Cu(110) substrate, at a partial pressure of 10-7 mbar.
;
_exptl_crystal_recrystallization_method 'Vapour deposition'
_pd_meas_scan_method             fixed
_pd_proc_ls_prof_R_factor        0.4021
_pd_proc_ls_prof_wR_factor       0.3780
_pd_spec_mounting                'thin film grown on top of substrate'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   'thin film'
_cod_data_source_file            c6ce01333c1.cif
_cod_data_source_block           Acetone_fiber_textured
_cod_depositor_comments          'Adding full bibliography for 7226608.cif.'
_cod_original_cell_volume        1536.47
_cod_database_code               7226608