Development of subnanomolar-affinity serotonin 5-HT<sub>4</sub> receptor ligands based on quinoline structures.
Castriconi, Federica; Paolino, Marco; Grisci, Giorgio; Francini, Cinzia Maria; Reale, Annalisa; Giuliani, Germano; Anzini, Maurizio; Giorgi, Gianluca; Mennuni, Laura; Sabatini, Chiara; Lanza, Marco; Caselli, Gianfranco; Cappelli, Andrea; MedChemComm 9 (2018) 1466–1471; doi:10.1039/c8md00233a

data_7121918
_publ_section_title
;
 Development of subnanomolar-affinity serotonin 5-HT<sub>4</sub> receptor
 ligands based on quinoline structures.
;
_journal_issue                   9
_journal_name_full               MedChemComm
_journal_page_first              1466
_journal_page_last               1471
_journal_paper_doi               10.1039/c8md00233a
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety         'C20 H27 N3 O2, H2 O'
_chemical_formula_sum            'C20 H29 N3 O3'
_chemical_formula_weight         359.46
_chemical_name_systematic
;
N-((1-butylpiperidin-4-yl)methyl)-8-hydroxyquinoline-2-carboxamide hydrate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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2018-05-02 deposited with the CCDC.
2018-06-28 downloaded from the CCDC.
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0856
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CrysAlisPro, Oxford Diffraction Ltd.,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.222
_exptl_crystal_description       needle
_exptl_crystal_F_000             776
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_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.276
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4463
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.791
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0444P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0969
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1828
_reflns_number_total             4463
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8md00233a2.cif
_cod_data_source_block           VC1439
_cod_depositor_comments
'Adding full bibliography for 7121917--7121918.cif.'
_cod_database_code               7121918
_shelx_shelxl_version_number     2018/1
_shelx_res_checksum              49335