Isolation and structure of an 18-membered macrocycle containing two diselenide linkages and its precursor
Raju, Saravanan; Butcher, Ray J.; Singh, Harkesh B.; Acta Crystallographica Section C 75 (2019) –; doi:10.1107/S2053229619002341

data_2021522
_publ_section_title
;
 Isolation and structure of an 18-membered macrocycle containing two
 diselenide linkages and its precursor
;
_journal_coeditor_code           FN3298
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229619002341
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'C22 H28 N2 O4 Se2'
_chemical_formula_moiety         'C22 H28 N2 O4 Se2'
_chemical_formula_sum            'C22 H28 N2 O4 Se2'
_chemical_formula_weight         542.38
_chemical_name_systematic
;
Di-<i>tert</i>-butyl 2,2'-[diselane-1,2-diylbis(2,1-phenylene)]dicarbamate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
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_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
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CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
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SHELXTL (Sheldrick, 2008)
;
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SHELXL2018 (Sheldrick, 2015b)
;
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SHELXT (Sheldrick, 2015a)
;
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_diffrn_reflns_theta_min         2.459
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;
(CrysAlis PRO; Rigaku OD, 2015)'
;
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0761
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0295P)^2^+17.3868P] where P=(Fo^2^+2Fc^2^)/3'
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