Base-triggerable lauryl sarcosinate-dodecyl sulfate catanionic liposomes: structure, biophysical characterization, and drug entrapment/release studies.
Ravindar, Chinapaka; Reddy, S. Thirupathi; Sivaramakrishna, Dokku; Damera, Deepthi Priyanka; Swamy, Musti J.; Soft matter 18 (2022) 7814–7826; doi:10.1039/d2sm00965j

data_1567730
_publ_section_title
;
 Base-triggerable lauryl sarcosinate-dodecyl sulfate catanionic liposomes:
 structure, biophysical characterization, and drug entrapment/release
 studies.
;
_journal_issue                   40
_journal_name_full               'Soft matter'
_journal_page_first              7814
_journal_page_last               7826
_journal_paper_doi               10.1039/d2sm00965j
_journal_volume                  18
_journal_year                    2022
_chemical_formula_moiety         'C15 H32 N O2, C12 H25 O4 S'
_chemical_formula_sum            'C27 H57 N O6 S'
_chemical_formula_weight         523.80
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-10-09 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 97.104(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   30.686(3)
_cell_length_b                   7.5240(7)
_cell_length_c                   41.837(4)
_cell_measurement_reflns_used    11082
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.08
_cell_measurement_theta_min      1.25
_cell_volume                     9585.2(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart Apex X-ray diffractometer'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            95982
_diffrn_reflns_theta_full        26.08
_diffrn_reflns_theta_max         26.08
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    0.137
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.976
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Thin
_exptl_crystal_F_000             3480.0
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.484
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     979
_refine_ls_number_reflns         19009
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.1426
_refine_ls_R_factor_gt           0.0850
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0924P)^2^+3.2234P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1882
_refine_ls_wR_factor_ref         0.2186
_reflns_number_gt                11082
_reflns_number_total             19009
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d2sm00965j2.cif
_cod_data_source_block           thiru
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1567730.cif.
;
_cod_original_cell_volume        9585.3(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567730