The simplest supramolecular helix.
Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander; Chemical communications (Cambridge, England) 54 (2018) 6012–6015; doi:10.1039/c8cc03295e

data_7121730
_publ_section_title
;
 The simplest supramolecular helix.
;
_journal_issue                   47
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6012
_journal_page_last               6015
_journal_paper_doi               10.1039/c8cc03295e
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C4 H11 N'
_chemical_formula_sum            'C4 H11 N'
_chemical_formula_weight         73.14
_chemical_name_common            methylpropylamine
_chemical_name_systematic        methylpropylamine
_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'
_audit_block_doi                 10.5517/ccdc.csd.cc1z9pzy
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-02-28 deposited with the CCDC.
2018-05-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.67(2)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   15.168(15)
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_cell_length_c                   15.176(15)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      5.369
_cell_volume                     2049(3)
_computing_cell_refinement       'Bruker Apex'
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_computing_data_reduction        'Bruker Apex'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.865
_diffrn_measured_fraction_theta_max 0.863
_diffrn_measurement_device_type  'Bruker Smart Apex'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_unetI/netI     0.0456
_diffrn_reflns_Laue_measured_fraction_full 0.865
_diffrn_reflns_Laue_measured_fraction_max 0.863
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.514
_diffrn_reflns_theta_min         2.653
_diffrn_source                   sealed-tube
_exptl_absorpt_coefficient_mu    0.057
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.948
_exptl_crystal_description       cylinder
_exptl_crystal_F_000             672
_exptl_crystal_recrystallization_method 'From the Melt'
_exptl_crystal_size_rad          0.25
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2659
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1196
_refine_ls_R_factor_gt           0.0892
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1832P)^2^+4.5703P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2610
_refine_ls_wR_factor_ref         0.2920
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1817
_reflns_number_total             2659
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc03295e2.cif
_cod_data_source_block           MePrNH_hr_twin
_cod_depositor_comments
'Adding full bibliography for 7121726--7121736.cif.'
_cod_database_code               7121730
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              76909
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