Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?
Lim, Jaebum; Miljanić, Ognjen Š.; CrystEngComm 13 (2011) 5309–; doi:10.1039/c1ce05618b

data_7206430
_publ_section_title
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 Crystal structures of 8-arylethynyl substituted guanosine derivatives:
 are hydrogen-bonded ribbons a surprise?
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              5309
_journal_paper_doi               10.1039/c1ce05618b
_journal_volume                  13
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C25 H22 N6 O8, 2 C H Cl3'
_chemical_formula_sum            'C27 H24 Cl6 N6 O8'
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_chemical_name_systematic
;
?
;
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_b                   10.5251(7)
_cell_length_c                   34.007(2)
_cell_measurement_reflns_used    4080
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.54
_cell_measurement_theta_min      1.20
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_computing_cell_refinement       'SAINT v7.12A (Bruker-Nonius, 2004)'
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_computing_structure_solution    'SHELXS v6.12 (G.M. Sheldrick, 2001)'
_diffrn_ambient_temperature      223(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15676
_diffrn_reflns_theta_full        23.54
_diffrn_reflns_theta_max         23.54
_diffrn_reflns_theta_min         1.20
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_exptl_absorpt_coefficient_mu    0.548
_exptl_absorpt_correction_T_max  0.9892
_exptl_absorpt_correction_T_min  0.7599
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             1576
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1176P)^2^+3.2496P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            c1ce05618b.txt
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_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3481.5(4)
_cod_database_code               7206430