Porphyrin ring contraction: a one-pot reaction leading to divalent corroles.
Jeandon, Christophe; Ruppert, Romain; Callot, Henry J; Chemical communications (Cambridge, England)  (2004) 1090–1091; doi:10.1039/b400812j

data_7102612
_publ_section_title
;
 Porphyrin ring contraction: a one-pot reaction leading to divalent
 corroles.
;
_journal_issue                   9
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1090
_journal_page_last               1091
_journal_paper_doi               10.1039/b400812j
_journal_year                    2004
_chemical_formula_moiety         'C108 H72 N8 Ni2 O4'
_chemical_formula_sum            'C108 H72 N8 Ni2 O4'
_chemical_formula_weight         1663.25
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.381(5)
_cell_angle_beta                 87.314(5)
_cell_angle_gamma                85.678(5)
_cell_formula_units_Z            2
_cell_length_a                   13.7819(2)
_cell_length_b                   16.2114(2)
_cell_length_c                   18.7744(3)
_cell_measurement_temperature    173
_cell_volume                     3962.7(1)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measurement_details
;
34497 reflections were collected using program Collect
("Collect" Data collection software, Nonius B.V., 1998)
The conditions were as follow : crystal to detector distance =  36. mm.
Scan angle =  1.9 deg 1 scans of   90 sec per frame.
Data collection was divided into  2 set(s)
with the following starting angles and number of frames :

Set 1 Theta =    8.80 Omega =    0.00 Kappa =    0.00   96 frames
Set 2 Theta =   -8.50 Kappa =  134.00 Phi   =    0.00   26 frames
Friedel pairs were averaged. Internal R = 0.04
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            34497
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.541
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.529
_refine_diff_density_min         -0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.734
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1099
_refine_ls_number_reflns         12578
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.121
_refine_ls_R_factor_gt           0.046
_refine_ls_shift/esd_mean        0.004
_refine_ls_shift/su_max          0.043
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.187
_refine_ls_wR_factor_ref         0.063
_reflns_number_gt                12578
_reflns_number_total             23060
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b400812j.txt
_cod_data_source_block           st1297
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7102612