#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/43/7204335.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7204335
loop_
_publ_author_name
'Daniel D. Long'
'Martin D. Smith'
'Angeles Martín'
'Joseph R. Wheatley'
'David G. Watkin'
'Mattaius Müller'
'George W. J. Fleet'
_publ_section_title
;
 Complex tetrahydrofurans from carbohydrate lactones: THF amino acids
 as building blocks for unnatural biopolymers
;
_journal_issue                   17
_journal_name_full               'J. Chem. Soc., Perkin Trans. 1'
_journal_page_first              1982
_journal_page_last               1998
_journal_paper_doi               10.1039/b111258a
_journal_year                    2002
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' (C18 H34 N4 O5)2 '
_chemical_formula_sum            'C18 H34 N4 O5'
_chemical_formula_weight         386.49
_chemical_melting_point          ?
_chemical_name_systematic
;                                                                               
?                                                                               
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             02-19-03
_audit_creation_method           CRYSTALS_ver_12-03-99
_cell_angle_alpha                90
_cell_angle_beta                 102.55(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.382(2)
_cell_length_b                   8.655(1)
_cell_length_c                   27.054(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      43
_cell_measurement_theta_min      21
_cell_volume                     4201.3(10)
_computing_cell_refinement
; 
Cad4 Express, (Enraf-Nonius, 1989) 
;
_computing_data_collection
; 
Cad4 Express, (Enraf-Nonius, 1989) 
;
_computing_data_reduction
; 
RC93 (Watkin, Prout & Lilley, 1994) 
;
_computing_molecular_graphics
; 
CAMERON (Watkin et al 1996) 
;
_computing_publication_material
; 
CRYSTALS (Watkin et al 2001) 
;
_computing_structure_refinement
; 
CRYSTALS (Watkin et al 2001) 
;
_computing_structure_solution
; 
SIR92 (Altomare et al, 1994) 
;
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device_type
; 
Enraf-Nonius Mach3 
;
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.01
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            5716
_diffrn_reflns_theta_max         73.59
_diffrn_reflns_theta_min         3.35
_diffrn_standards_decay_%        7.59
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.734
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.93
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' colourless '
_exptl_crystal_density_diffrn    1.222
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' cube '
_exptl_crystal_F_000             1685.247
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.58
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9078
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         3083
_refine_ls_R_factor_gt           0.0745
_refine_ls_shift/su_max          0.007513
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method= Tukey and Prince 
W = [weight] * [1-(deltaF/6*sigmaF)^2]^2 

3.06 3.10 1.99 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0971
_reflns_limit_h_max              22
_reflns_limit_h_min              -22
_reflns_limit_k_max              10
_reflns_limit_k_min              0
_reflns_limit_l_max              33
_reflns_limit_l_min              0
_reflns_number_gt                3083
_reflns_number_total             3762
_reflns_threshold_expression     >1.00σ(I)
_cod_data_source_file            b111258a.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic ' changed to 'monoclinic'
according to '/home/adriana/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_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_sg_symbol_H-M      'C 1 2 1 '
_cod_original_formula_sum        ' C36 H68 N8 O10 '
_cod_database_code               7204335
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,y+1/2,z
-x,y,-z
-x+1/2,y+1/2,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
O1 O 0.1891(2) 0.3469(5) 0.40064(14) 0.0158 1.0000 Uani
O6 O -0.1072(2) 0.8942(5) 0.35718(15) 0.0155 1.0000 Uani
O12 O -0.0888(2) 1.1678(6) 0.41737(17) 0.0241 1.0000 Uani
O25 O 0.2110(2) 0.2869(6) 0.29984(17) 0.0249 1.0000 Uani
O31 O 0.0063(2) 0.1844(5) 0.35084(15) 0.0183 1.0000 Uani
O41 O 0.0324(2) 0.3459(5) 0.45833(15) 0.0189 1.0000 Uani
O52 O 0.2393(3) 0.1789(6) 0.49089(17) 0.0238 1.0000 Uani
O75 O -0.0227(3) 0.5750(5) 0.31058(16) 0.0225 1.0000 Uani
O81 O 0.0177(2) 0.6444(5) 0.43894(15) 0.0181 1.0000 Uani
O91 O -0.1162(2) 0.7764(6) 0.48256(15) 0.0231 1.0000 Uani
N21 N 0.1531(3) 0.0931(6) 0.36750(19) 0.0152 1.0000 Uani
N22 N 0.2188(3) 0.0519(6) 0.37171(19) 0.0156 1.0000 Uani
N23 N 0.2754(3) -0.0019(7) 0.3771(2) 0.0300 1.0000 Uani
N26 N 0.0945(3) 0.3846(7) 0.28047(18) 0.0211 1.0000 Uani
N71 N 0.0183(3) 0.8579(6) 0.36358(19) 0.0167 1.0000 Uani
N72 N 0.0741(3) 0.7754(7) 0.3646(2) 0.0231 1.0000 Uani
N73 N 0.1303(4) 0.7214(7) 0.3663(3) 0.0311 1.0000 Uani
N76 N -0.1424(3) 0.6633(6) 0.29442(19) 0.0191 1.0000 Uani
C2 C 0.1394(3) 0.2639(7) 0.3628(2) 0.0156 1.0000 Uani
C3 C 0.0632(3) 0.2846(7) 0.37590(19) 0.0125 1.0000 Uani
C4 C 0.0854(3) 0.2788(7) 0.4338(2) 0.0156 1.0000 Uani
C5 C 0.1566(3) 0.3718(7) 0.4441(2) 0.0136 1.0000 Uani
C7 C -0.0528(3) 0.7787(7) 0.3633(2) 0.0155 1.0000 Uani
C8 C -0.0531(3) 0.6994(7) 0.4143(2) 0.0147 1.0000 Uani
C9 C -0.0818(3) 0.8283(8) 0.4430(2) 0.0202 1.0000 Uani
C10 C -0.1392(3) 0.9067(7) 0.4017(2) 0.0159 1.0000 Uani
C11 C -0.1540(4) 1.0744(8) 0.4102(2) 0.0215 1.0000 Uani
C24 C 0.1515(3) 0.3166(7) 0.3107(2) 0.0145 1.0000 Uani
C27 C 0.0957(4) 0.4281(8) 0.2282(2) 0.0228 1.0000 Uani
C28 C 0.0176(4) 0.4289(7) 0.1957(2) 0.0181 1.0000 Uani
C29 C 0.0158(4) 0.4532(8) 0.1399(2) 0.0212 1.0000 Uani
C30 C -0.0628(4) 0.4603(8) 0.1071(2) 0.0236 1.0000 Uani
C31 C -0.0650(4) 0.4810(9) 0.0510(3) 0.0292 1.0000 Uani
C32 C -0.1442(4) 0.4947(9) 0.0180(2) 0.0263 1.0000 Uani
C33 C -0.1440(4) 0.5155(9) -0.0379(2) 0.0258 1.0000 Uani
C34 C -0.2214(4) 0.5275(9) -0.0722(2) 0.0239 1.0000 Uani
C35 C -0.2206(4) 0.5504(8) -0.1280(2) 0.0229 1.0000 Uani
C36 C -0.2988(4) 0.5652(9) -0.1626(2) 0.0268 1.0000 Uani
C37 C -0.2972(4) 0.5910(9) -0.2176(2) 0.0279 1.0000 Uani
C38 C -0.3754(5) 0.6066(12) -0.2509(3) 0.0431 1.0000 Uani
C51 C 0.2125(3) 0.3317(7) 0.4923(2) 0.0167 1.0000 Uani
C74 C -0.0728(3) 0.6634(8) 0.3192(2) 0.0192 1.0000 Uani
C77 C -0.1732(3) 0.5493(8) 0.2551(2) 0.0227 1.0000 Uani
C78 C -0.2063(4) 0.6277(9) 0.2049(2) 0.0254 1.0000 Uani
C79 C -0.2438(4) 0.5133(9) 0.1648(2) 0.0254 1.0000 Uani
C80 C -0.2818(4) 0.5908(9) 0.1148(2) 0.0277 1.0000 Uani
C81 C -0.3206(4) 0.4786(9) 0.0747(2) 0.0267 1.0000 Uani
C82 C -0.3606(4) 0.557(1) 0.0259(3) 0.0317 1.0000 Uani
C83 C -0.3975(4) 0.445(1) -0.0156(3) 0.0310 1.0000 Uani
C84 C -0.4388(4) 0.5221(9) -0.0641(3) 0.0309 1.0000 Uani
C85 C -0.4737(4) 0.4076(9) -0.1049(2) 0.0284 1.0000 Uani
C86 C -0.5147(4) 0.4868(9) -0.1536(3) 0.0278 1.0000 Uani
C87 C -0.5526(4) 0.3753(8) -0.1950(3) 0.0294 1.0000 Uani
C88 C -0.5927(4) 0.4572(11) -0.2437(3) 0.0357 1.0000 Uani
H31 H 0.0329 0.3767 0.3616 0.0118 1.0000 Uiso
H41 H 0.0880 0.1724 0.4484 0.0165 1.0000 Uiso
H51 H 0.1444 0.4831 0.4481 0.0142 1.0000 Uiso
H81 H -0.0807 0.5994 0.4129 0.0134 1.0000 Uiso
H91 H -0.0410 0.8946 0.4626 0.0203 1.0000 Uiso
H101 H -0.1888 0.8557 0.3983 0.0150 1.0000 Uiso
H111 H -0.1754 1.0831 0.4411 0.0215 1.0000 Uiso
H112 H -0.1908 1.1139 0.3801 0.0215 1.0000 Uiso
H271 H 0.1179 0.5336 0.2280 0.0209 1.0000 Uiso
H272 H 0.1268 0.3520 0.2140 0.0209 1.0000 Uiso
H281 H -0.0112 0.5141 0.2076 0.0177 1.0000 Uiso
H282 H -0.0066 0.3275 0.1999 0.0177 1.0000 Uiso
H291 H 0.0417 0.5526 0.1359 0.0202 1.0000 Uiso
H292 H 0.0429 0.3657 0.1277 0.0202 1.0000 Uiso
H301 H -0.0895 0.5492 0.1187 0.0224 1.0000 Uiso
H302 H -0.0891 0.3618 0.1116 0.0224 1.0000 Uiso
H311 H -0.0370 0.5771 0.0466 0.0268 1.0000 Uiso
H312 H -0.0402 0.3899 0.0390 0.0268 1.0000 Uiso
H321 H -0.1694 0.5858 0.0297 0.0252 1.0000 Uiso
H322 H -0.1726 0.3986 0.0220 0.0252 1.0000 Uiso
H331 H -0.1159 0.6122 -0.0417 0.0237 1.0000 Uiso
H332 H -0.1179 0.4249 -0.0491 0.0237 1.0000 Uiso
H341 H -0.2478 0.6174 -0.0608 0.0228 1.0000 Uiso
H342 H -0.2493 0.4303 -0.0688 0.0228 1.0000 Uiso
H351 H -0.1920 0.6467 -0.1313 0.0209 1.0000 Uiso
H352 H -0.1950 0.4597 -0.1396 0.0209 1.0000 Uiso
H361 H -0.3249 0.6546 -0.1506 0.0251 1.0000 Uiso
H362 H -0.3272 0.4681 -0.1599 0.0251 1.0000 Uiso
H371 H -0.2686 0.6877 -0.2204 0.0251 1.0000 Uiso
H372 H -0.2716 0.5013 -0.2298 0.0251 1.0000 Uiso
H381 H -0.3716 0.6234 -0.2868 0.0377 1.0000 Uiso
H382 H -0.4012 0.6966 -0.2391 0.0377 1.0000 Uiso
H383 H -0.4042 0.5101 -0.2485 0.0377 1.0000 Uiso
H511 H 0.1879 0.3420 0.5217 0.0152 1.0000 Uiso
H512 H 0.2554 0.4050 0.4965 0.0152 1.0000 Uiso
H771 H -0.2131 0.4887 0.2663 0.0218 1.0000 Uiso
H772 H -0.1325 0.4780 0.2504 0.0218 1.0000 Uiso
H781 H -0.2441 0.7053 0.2104 0.0244 1.0000 Uiso
H782 H -0.1655 0.6814 0.1925 0.0244 1.0000 Uiso
H791 H -0.2824 0.4550 0.1783 0.0220 1.0000 Uiso
H792 H -0.2053 0.4398 0.1579 0.0220 1.0000 Uiso
H801 H -0.3197 0.6656 0.1220 0.0256 1.0000 Uiso
H802 H -0.2430 0.6477 0.1013 0.0256 1.0000 Uiso
H811 H -0.3582 0.4188 0.0886 0.0252 1.0000 Uiso
H812 H -0.2825 0.4062 0.0665 0.0252 1.0000 Uiso
H821 H -0.3999 0.6265 0.0339 0.0304 1.0000 Uiso
H822 H -0.3233 0.6201 0.0127 0.0304 1.0000 Uiso
H831 H -0.4339 0.3807 -0.0021 0.0293 1.0000 Uiso
H832 H -0.3579 0.3775 -0.0241 0.0293 1.0000 Uiso
H841 H -0.4793 0.5883 -0.0560 0.0296 1.0000 Uiso
H842 H -0.4029 0.5882 -0.0775 0.0296 1.0000 Uiso
H851 H -0.5101 0.3419 -0.0917 0.0262 1.0000 Uiso
H852 H -0.4335 0.3408 -0.1130 0.0262 1.0000 Uiso
H861 H -0.5537 0.5563 -0.1451 0.0268 1.0000 Uiso
H862 H -0.4779 0.5499 -0.1672 0.0268 1.0000 Uiso
H871 H -0.5901 0.3129 -0.1817 0.0259 1.0000 Uiso
H872 H -0.5139 0.3050 -0.2035 0.0259 1.0000 Uiso
H881 H -0.6164 0.3785 -0.2693 0.0312 1.0000 Uiso
H882 H -0.6321 0.5273 -0.2359 0.0312 1.0000 Uiso
H883 H -0.5559 0.5194 -0.2576 0.0312 1.0000 Uiso
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
'C   ' 0.0181 0.0091 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 International_Tables_Vol_IV_Table_2.2B
'H   ' 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7997
0.0030 International_Tables_Vol_IV_Table_2.2B
'O   ' 0.0492 0.0322 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 International_Tables_Vol_IV_Table_2.2B
'N   ' 0.0311 0.0180 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 International_Tables_Vol_IV_Table_2.2B
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 . O1 . C5 . 110.4(4) yes
C7 . O6 . C10 . 111.3(4) yes
N22 . N21 . C2 . 115.7(5) yes
N21 . N22 . N23 . 171.8(6) yes
C24 . N26 . C27 . 122.4(5) yes
N72 . N71 . C7 . 117.3(5) yes
N71 . N72 . N73 . 169.5(7) yes
C74 . N76 . C77 . 123.5(5) yes
O1 . C2 . N21 . 111.8(5) yes
O1 . C2 . C3 . 104.7(5) yes
N21 . C2 . C3 . 104.0(5) yes
O1 . C2 . C24 . 108.2(5) yes
N21 . C2 . C24 . 108.3(5) yes
C3 . C2 . C24 . 119.8(5) yes
O31 . C3 . C2 . 115.9(5) yes
O31 . C3 . C4 . 118.4(5) yes
C2 . C3 . C4 . 100.3(4) yes
O41 . C4 . C3 . 114.1(5) yes
O41 . C4 . C5 . 110.5(5) yes
C3 . C4 . C5 . 101.6(4) yes
O1 . C5 . C4 . 105.3(4) yes
O1 . C5 . C51 . 110.0(5) yes
C4 . C5 . C51 . 115.9(5) yes
O6 . C7 . N71 . 106.1(5) yes
O6 . C7 . C8 . 106.4(5) yes
N71 . C7 . C8 . 112.2(5) yes
O6 . C7 . C74 . 109.1(5) yes
N71 . C7 . C74 . 111.6(5) yes
C8 . C7 . C74 . 111.0(5) yes
O81 . C8 . C7 . 113.0(5) yes
O81 . C8 . C9 . 113.3(4) yes
C7 . C8 . C9 . 101.5(5) yes
O91 . C9 . C8 . 114.3(6) yes
O91 . C9 . C10 . 110.0(5) yes
C8 . C9 . C10 . 102.5(5) yes
O6 . C10 . C9 . 103.5(5) yes
O6 . C10 . C11 . 108.5(5) yes
C9 . C10 . C11 . 116.0(5) yes
O12 . C11 . C10 . 113.2(5) yes
O25 . C24 . N26 . 125.2(5) yes
O25 . C24 . C2 . 118.2(5) yes
N26 . C24 . C2 . 116.5(5) yes
N26 . C27 . C28 . 110.4(5) yes
C27 . C28 . C29 . 113.0(5) yes
C28 . C29 . C30 . 113.4(5) yes
C29 . C30 . C31 . 113.8(5) yes
C30 . C31 . C32 . 114.0(6) yes
C31 . C32 . C33 . 112.3(5) yes
C32 . C33 . C34 . 114.2(6) yes
C33 . C34 . C35 . 113.8(5) yes
C34 . C35 . C36 . 113.8(6) yes
C35 . C36 . C37 . 113.2(6) yes
C36 . C37 . C38 . 112.1(6) yes
O52 . C51 . C5 . 111.5(5) yes
O75 . C74 . N76 . 125.2(6) yes
O75 . C74 . C7 . 118.5(5) yes
N76 . C74 . C7 . 116.2(5) yes
N76 . C77 . C78 . 111.3(5) yes
C77 . C78 . C79 . 112.2(6) yes
C78 . C79 . C80 . 113.2(6) yes
C79 . C80 . C81 . 113.9(6) yes
C80 . C81 . C82 . 113.5(6) yes
C81 . C82 . C83 . 114.2(7) yes
C82 . C83 . C84 . 114.7(7) yes
C83 . C84 . C85 . 113.3(6) yes
C84 . C85 . C86 . 112.7(6) yes
C85 . C86 . C87 . 114.1(6) yes
C86 . C87 . C88 . 113.2(6) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 . C2 . 1.411(7) yes
O1 . C5 . 1.446(6) yes
O6 . C7 . 1.398(7) yes
O6 . C10 . 1.455(7) yes
O12 . C11 . 1.424(8) yes
O25 . C24 . 1.222(8) yes
O31 . C3 . 1.413(7) yes
O41 . C4 . 1.418(7) yes
O52 . C51 . 1.415(8) yes
O75 . C74 . 1.258(8) yes
O81 . C8 . 1.409(7) yes
O91 . C9 . 1.430(7) yes
N21 . N22 . 1.240(7) yes
N21 . C2 . 1.499(8) yes
N22 . N23 . 1.120(8) yes
N26 . C24 . 1.320(8) yes
N26 . C27 . 1.469(7) yes
N71 . N72 . 1.245(7) yes
N71 . C7 . 1.475(8) yes
N72 . N73 . 1.125(8) yes
N76 . C74 . 1.308(8) yes
N76 . C77 . 1.471(8) yes
C2 . C3 . 1.529(8) yes
C2 . C24 . 1.542(8) yes
C3 . C4 . 1.530(8) yes
C4 . C5 . 1.509(8) yes
C5 . C51 . 1.514(8) yes
C7 . C8 . 1.543(8) yes
C7 . C74 . 1.536(8) yes
C8 . C9 . 1.517(9) yes
C9 . C10 . 1.519(8) yes
C10 . C11 . 1.504(9) yes
C27 . C28 . 1.513(9) yes
C28 . C29 . 1.519(8) yes
C29 . C30 . 1.523(9) yes
C30 . C31 . 1.519(9) yes
C31 . C32 . 1.538(9) yes
C32 . C33 . 1.523(9) yes
C33 . C34 . 1.524(9) yes
C34 . C35 . 1.525(8) yes
C35 . C36 . 1.540(9) yes
C36 . C37 . 1.513(9) yes
C37 . C38 . 1.53(1) yes
C77 . C78 . 1.522(9) yes
C78 . C79 . 1.518(9) yes
C79 . C80 . 1.535(9) yes
C80 . C81 . 1.515(9) yes
C81 . C82 . 1.52(1) yes
C82 . C83 . 1.52(1) yes
C83 . C84 . 1.52(1) yes
C84 . C85 . 1.52(1) yes
C85 . C86 . 1.531(9) yes
C86 . C87 . 1.53(1) yes
C87 . C88 . 1.537(9) yes
