Rational design and topochemical synthesis of polymorphs of a polymer.
Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.; Chemical science 14 (2023) 5132–5140; doi:10.1039/d3sc00053b

data_1568908
_publ_section_title
;
 Rational design and topochemical synthesis of polymorphs of a polymer.
;
_journal_issue                   19
_journal_name_full               'Chemical science'
_journal_page_first              5132
_journal_page_last               5140
_journal_paper_doi               10.1039/d3sc00053b
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C15 H24 N6 O3, H2 O'
_chemical_formula_sum            'C15 H26 N6 O4'
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_audit_update_record
;
2022-09-20 deposited with the CCDC.	2023-04-14 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker KAPPA APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    NONE
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0645P)^2^+0.6916P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2370
_reflns_number_total             3411
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3sc00053b2.cif
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_cod_depositor_comments
'Adding full bibliography for 1568906--1568910.cif.'
_cod_original_cell_volume        1930.9(5)
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_estimated_absorpt_t_max   0.995
_shelx_res_checksum              10878
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