# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2011


data_global

_journal_coden_Cambridge         182

loop_
_publ_author_name
'Blanchard, Nicolas'
'Mandel, Jeremie'
'Dubois, Nathalie'
'Neuburger, Markus'

_publ_contact_author_name        'Blanchard, Nicolas'
_publ_contact_author_email       nicolas.blanchard@uha.fr

_publ_section_title              
;
Synthesis of spiroketals under neutral conditions via
a type III ring-rearrangement metathesis strategy
;

# Attachment '- 1.cif'

#######################################################################
#
# Cambridge Crystallographic Data Centre
# CCDC
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# Cambridge Structural Database, then it will include bibliographic, chemical,
# crystal, experimental, refinement or atomic coordinate data resulting from
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# CSD entries are Copyright 2011 Cambridge Crystallographic Data Centre. They
# may be used in bona fide research applications only, and may not be copied or
# further disseminated in any form, whether machine-readable or not, except for
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# Files arising from any other source may also contain material that is the
# copyright of third parties, including the originator, and you should check
# with the originator concerning the permitted uses of the information
# contained in this CIF.
#
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# for validating and visualising CIF files, please visit www.ccdc.cam.ac.uk
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#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 835354'
#TrackingRef '- 1.cif'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   9.5271(7)
_cell_length_b                   10.5027(7)
_cell_length_c                   11.2586(8)
_cell_angle_alpha                63.142(3)
_cell_angle_beta                 68.441(3)
_cell_angle_gamma                65.828(3)
_cell_volume                     893.56
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C -0.20677(8) 1.36336(8) 0.34454(8)
C2 C -0.21009(9) 1.34879(9) 0.47408(8)
C3 C -0.08281(8) 1.24639(8) 0.53256(7)
C4 C 0.04264(7) 1.16205(8) 0.46017(7)
C5 C 0.03978(8) 1.17680(8) 0.33162(7)
C6 C -0.08590(9) 1.27848(9) 0.27216(8)
C7 C 0.18767(8) 1.05784(8) 0.51197(7)
C8 C 0.32787(8) 0.96691(9) 0.67951(7)
C9 C 0.31000(7) 0.96964(8) 0.81691(7)
C10 C 0.24703(9) 1.12535(8) 0.82723(8)
C11 C 0.21326(8) 1.11407(8) 0.97422(8)
C12 C 0.18193(8) 0.97301(8) 1.09034(7)
C13 C 0.24938(8) 0.83975(8) 1.04338(7)
C14 C 0.42771(8) 0.80361(8) 0.99788(8)
C15 C 0.46299(8) 0.88277(9) 0.86613(8)
C16 C 0.22337(12) 0.60349(10) 1.09946(9)
C17 C 0.19314(11) 0.46861(10) 1.22294(9)
C18 C 0.31407(12) 0.39505(10) 1.30637(11)
C19 C 0.28725(19) 0.35827(13) 1.43902(12)
N1 N -0.33607(8) 1.47796(8) 0.27866(7)
O1 O -0.42520(8) 1.57338(8) 0.32853(8)
O2 O -0.34662(8) 1.47243(9) 0.17600(8)
O3 O 0.18222(6) 1.05467(6) 0.63404(5)
O4 O 0.29896(6) 0.98602(7) 0.44986(6)
O5 O 0.20520(9) 1.21836(8) 0.99901(7)
O6 O 0.20205(6) 0.88859(6) 0.91866(5)
O7 O 0.18678(7) 0.72548(6) 1.14258(6)
H21 H -0.2942 1.4051 0.5208
H31 H -0.0811 1.2358 0.6193
H51 H 0.1248 1.1193 0.2822
H61 H -0.0901 1.2910 0.1860
H81 H 0.4139 1.0066 0.6122
H82 H 0.3518 0.8654 0.6870
H101 H 0.3199 1.1843 0.7718
H102 H 0.1481 1.1787 0.7967
H121 H 0.2253 0.9518 1.1651
H122 H 0.0657 0.9940 1.1202
H141 H 0.4972 0.7403 1.0573
H151 H 0.5650 0.8902 0.8092
H162 H 0.3372 0.5803 1.0492
H161 H 0.1578 0.6319 1.0382
H172 H 0.0864 0.4988 1.2794
H171 H 0.1951 0.3982 1.1877
H181 H 0.4240 0.3729 1.2547
H191 H 0.3709 0.3110 1.4842
H192 H 0.1820 0.3833 1.4891

#END