Cyclic (H2O)6confined hexameric host–guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds
Manna, Utsab; Das, Gopal; CrystEngComm 20 (2018) 3741–; doi:10.1039/C8CE00611C

data_7230787
_publ_section_title
;
 Cyclic (H2O)6confined hexameric host--guest assemblies and aerial
 CO2fixation by electron-rich neutral urea/thiourea scaffolds
;
_journal_issue                   26
_journal_name_full               CrystEngComm
_journal_page_first              3741
_journal_paper_doi               10.1039/C8CE00611C
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C27 H33 N7 O3'
_chemical_formula_sum            'C27 H33 N7 O3'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2017-09-25 deposited with the CCDC.
2018-05-29 downloaded from the CCDC.
;
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_cell_angle_beta                 71.200(9)
_cell_angle_gamma                74.329(10)
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_cell_measurement_theta_min      3.2450
_cell_volume                     1350.5(3)
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_diffrn_measurement_method       'phi and omega scans'
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0800P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.2272
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           T-Ph-NCO-Ligand
_cod_depositor_comments
'Adding full bibliography for 7230787--7230794.cif.'
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