A monoclinic form of dendocarbin A: a borderline case of one-dimensional isostructural polymorphism
Paz, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo; Acta Crystallographica Section C 71 (2015) –; doi:10.1107/S2053229615004994

data_2019902
_publ_section_title
;
 A monoclinic form of dendocarbin A: a borderline case of one-dimensional
 isostructural polymorphism
;
_journal_coeditor_code           YP3088
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229615004994
_journal_volume                  71
_journal_year                    2015
_chemical_formula_moiety         'C15 H22 O3'
_chemical_formula_sum            'C15 H22 O3'
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_chemical_name_common
;
Dendrocarbin A
;
_chemical_name_systematic
;
(1<i>R</i>,5a<i>S</i>,9a<i>S</i>,9b<i>R</i>)-1-Hydroxy-6,6,9a-\
trimethyldodecahydronaphtho[1,2-<i>c</i>]furan-3-one
;
_space_group_crystal_system      monoclinic
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_cell_measurement_temperature    295(2)
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_computing_cell_refinement
;
CrysAlis PRO (Oxford Diffraction, 2009)
;
_computing_data_collection
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CrysAlis PRO (Oxford Diffraction, 2009)
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_computing_data_reduction
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CrysAlis PRO (Oxford Diffraction, 2009)
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XP in SHELXTL (Sheldrick, 2008)
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SHELXL2013 (Sheldrick, 2008) and PLATON (Spek, 2009)
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SHELXL2014 (Sheldrick, 2008)
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SHELXS (Sheldrick, 2008)
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_diffrn_reflns_theta_max         28.789
_diffrn_reflns_theta_min         3.905
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.967
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;
(CrysAlis PRO; Oxford Diffraction, 2009)
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_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0402P)^2^+0.0646P] where P=(Fo^2^+2Fc^2^)/3'
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