Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.
Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi; The Journal of organic chemistry 83 (2018) 10655–10659; doi:10.1021/acs.joc.8b01485

data_4035123
_publ_section_title
;
 Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric
 Fullerene Derivatives.
;
_journal_issue                   17
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              10655
_journal_page_last               10659
_journal_paper_doi               10.1021/acs.joc.8b01485
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C76 H40 O9'
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_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
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_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
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_diffrn_reflns_theta_max         66.593
_diffrn_reflns_theta_min         2.990
_exptl_absorpt_coefficient_mu    0.766
_exptl_absorpt_correction_T_max  0.970
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            orange
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_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8488
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_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1352
_refine_ls_R_factor_gt           0.0940
_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^)+(0.1734P)^2^+14.0688P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        2503.7(3)
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