<i>trans</i>-Decahydronaphthalene (decalin) from powder diffraction data
Eibl, Stefan; Fitch, Andrew; Brunelli, Michela; Evans, Alexander Dominic; Pattison, Philip; Plazanet, Marie; Johnson, Mark Robert; Alba-Simionesco, Christiane; Schober, Helmut; Acta Crystallographica Section C 65 (2009) o278–o280; doi:10.1107/S0108270109013365

data_2017140
_publ_section_title
;
 <i>trans</i>-Decahydronaphthalene (decalin) from powder diffraction
 data
;
_journal_coeditor_code           SK3312
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o278
_journal_page_last               o280
_journal_paper_doi               10.1107/S0108270109013365
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C10 H18'
_chemical_formula_moiety         'C10 H18'
_chemical_formula_sum            'C10 H18'
_chemical_formula_weight         138.25
_chemical_melting_point          242
_chemical_name_common            trans-Decalin
_chemical_name_systematic
;
<i>trans</i>-Decahydronaphthalene
;
_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'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.990(7)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.8101(5)
_cell_length_b                   10.4690(12)
_cell_length_c                   5.2638(3)
_cell_measurement_temperature    100
_cell_volume                     430.32(6)
_computing_cell_refinement       'DASH (David <i>et al.</i>,  2006)'
_computing_data_collection       'ESRF: ID31 and BM01A (name of software?)'
_computing_data_reduction        'Fit2D (Hammersley <i>et al.</i>,  1996)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'TOPAS (Coelho, 2000)'
_computing_structure_solution    'TOPAS (Coelho, 2000)'
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  SNBL
_diffrn_radiation_monochromator  none
_exptl_absorpt_coefficient_mu    0.026
_exptl_crystal_density_diffrn    1.067
_exptl_crystal_density_method    'not measured'
_pd_block_diffractogram_id       tD
_pd_char_colour                  colourless
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        36
_pd_meas_2theta_range_min        0
_pd_meas_scan_method             cont
_pd_prep_pressure                100
_pd_prep_temperature             293
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        28.5
_pd_proc_2theta_range_min        2
_pd_proc_info_excluded_regions   none
_pd_proc_ls_background_function  'square polynomial'
_pd_proc_ls_pref_orient_corr     ' sph. harm. of order four (J\"arvinen, 1993)'
_pd_proc_ls_profile_function     'Thompson-Cox-Hastings (Thompson et al., 1987)'
_pd_proc_ls_prof_wR_factor       0.09291
_pd_spec_mounting                ' in situ crystallised liquid in capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              10
_pd_spec_size_equat              0.5
_pd_spec_size_thick              0.5
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     4
_cod_data_source_file            sk3312.cif
_cod_data_source_block           I
_cod_original_cell_volume        430.33(6)
_cod_database_code               2017140