Backbone Engineered γ-Peptide Amphitropic Gels for Immobilization of Semiconductor Quantum Dots and 2D Cell Culture.
Misra, Rajkumar; Sharma, Aman; Shiras, Anjali; Gopi, Hosahudya N.; Langmuir : the ACS journal of surfaces and colloids 33 (2017) 7762–7768; doi:10.1021/acs.langmuir.7b01283

data_4514171
_publ_section_title
;
 Backbone Engineered \g-Peptide Amphitropic Gels for Immobilization of
 Semiconductor Quantum Dots and 2D Cell Culture.
;
_journal_issue                   31
_journal_name_full
'Langmuir : the ACS journal of surfaces and colloids'
_journal_page_first              7762
_journal_page_last               7768
_journal_paper_doi               10.1021/acs.langmuir.7b01283
_journal_volume                  33
_journal_year                    2017
_chemical_formula_sum            'C22 H28 N2 O4'
_chemical_formula_weight         384.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.266(5)
_cell_angle_beta                 95.463(4)
_cell_angle_gamma                90.212(5)
_cell_formula_units_Z            2
_cell_length_a                   5.0140(10)
_cell_length_b                   11.531(2)
_cell_length_c                   18.198(4)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.25
_cell_volume                     1047.3(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18173
_diffrn_reflns_theta_full        28.45
_diffrn_reflns_theta_max         28.45
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    0.084
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       roadshape
_exptl_crystal_F_000             330
_refine_diff_density_max         0.532
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.069
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.9(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.787
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         7091
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.787
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0448
_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^)+(0.1549P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1336
_refine_ls_wR_factor_ref         0.1519
_reflns_number_gt                6111
_reflns_number_total             7091
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            la7b01283_si_002.cif
_cod_data_source_block           gfgf
_cod_depositor_comments          'Adding full bibliography for 4514171.cif.'
_cod_original_sg_symbol_H-M      P1
_cod_database_code               4514171