Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies
Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.; CrystEngComm 23 (2021) 3961–3974; doi:10.1039/D1CE00032B

data_7242720
_publ_section_title
;
 Polymorphs and hydrates of the anticancer drug erlotinib: X-ray
 crystallography, phase transition and biopharmaceutical studies
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              3961
_journal_page_last               3974
_journal_paper_doi               10.1039/D1CE00032B
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C22 H23 N3 O4, H2O'
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_audit_update_record
;
2020-12-28 deposited with the CCDC.	2021-04-23 downloaded from the CCDC.
;
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_diffrn_source                   'micro-focus sealed tube'
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_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0679P)^2^+0.2409P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                16988
_reflns_number_total             19237
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           ETB_FORM_III
_cod_depositor_comments
'Adding full bibliography for 7242719--7242721.cif.'
_cod_original_cell_volume        2014.1(11)
_cod_database_code               7242720
_shelx_shelxl_version_number     2018/3
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_shelx_estimated_absorpt_t_max   0.988
_shelx_res_checksum              77494
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