Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil
Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina; Crystal Growth & Design 15 (2015) 475–; doi:10.1021/cg501542h

data_4512522
_publ_section_title
;
 Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir
 Dipivoxil
;
_journal_issue                   1
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              475
_journal_paper_doi               10.1021/cg501542h
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C20 H32 N5 O8 P'
_chemical_formula_structural     'C20 H32 N5 O8 P'
_chemical_formula_sum            'C20 H32 N5 O8 P'
_chemical_formula_weight         501.48
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 100.6575(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   13.12870(10)
_cell_length_b                   24.6784(3)
_cell_length_c                   8.34752(8)
_cell_measurement_temperature    293
_cell_volume                     2657.90(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'PANalytical X'Pert PRO MPD'
_diffrn_radiation_monochromator  'elliptic x-ray mirror'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013003
_pd_meas_2theta_range_max        69.98700
_pd_meas_2theta_range_min        5.00000
_pd_meas_number_of_points        5000
_pd_proc_2theta_range_inc        0.013003
_pd_proc_2theta_range_max        69.9856
_pd_proc_2theta_range_min        4.9986
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.8389
_pd_proc_ls_prof_wR_expected     1.4632
_pd_proc_ls_prof_wR_factor       5.1295
_pd_proc_wavelength              1.541840
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   12.7
_refine_ls_number_parameters     162
_refine_ls_number_reflns         1410
_refine_ls_number_restraints     186
_refine_ls_R_I_factor            5.8734
_cod_data_source_file            cg501542h_si_007.cif
_cod_data_source_block           Forma
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4512519--4512522.cif.
;
_cod_database_code               4512522
_pd_proc_ls_prof_cr_factor       9.2514
_pd_proc_ls_prof_cwr_factor      9.5249
_pd_proc_ls_prof_cwr_expected    2.7169
_pd_proc_ls_prof_chi2            12.2906
_pd_proc_ls_prof_echi2           12.6809