#------------------------------------------------------------------------------ #$Date: 2021-05-03 15:41:16 +0300 (Mon, 03 May 2021) $ #$Revision: 264769 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/90/00/5900022.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_5900022 loop_ _publ_author_name 'Llewellyn, F. J.' 'Cox, E. G.' 'Goodwin, T. H.' _publ_section_title ; The crystalline structure of the sugars. Part IV. Pentaerythritol and the hydroxyl bond ; _journal_name_full 'Journal of the Chemical Society' _journal_page_first 883 _journal_page_last 894 _journal_paper_doi 10.1039/JR9370000883 _journal_year 1937 _chemical_formula_sum 'C5 H12 O4' _chemical_name_systematic Pentaerythritol _symmetry_Int_Tables_number 82 _symmetry_space_group_name_H-M 'I -4' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.10(2) _cell_length_b 6.10(2) _cell_length_c 8.73(2) _cod_data_source_file 023_tetramethoxymethane.cif _cod_data_source_block tetramethoxymethane _cod_depositor_comments ; Changing the chemical name from 'Tetramethoxymethane' to 'Pentaerythritol'. Marking attached hydrogen atoms. Antanas Vaitkus, 2016-12-06 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop and updated the _citation_author_name data item value. Antanas Vaitkus, 2021-05-03 ; _cod_database_code 5900022 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_attached_hydrogens C1 C1 2 a 0 0 0 0 C2 C2 8 g 0.162 0.123 0.097 2 O O 8 g 0.314 0.247 0.002 1 loop_ _citation_author_citation_id _citation_author_ordinal _citation_author_name 1 1 'Kitajgorodskij, A. I.' loop_ _citation_id _citation_coordinate_linkage _citation_title _citation_book_title _citation_country _citation_page_first _citation_page_last _citation_year _citation_book_publisher _cod_citation_special_details 1 yes ? 'Organicheskaja Kristallokhimija' USSR ? ? 1955 'Izdatel'stvo Akademii Nauk SSSR' ; Coordinates are presented as published in this book, Kitajgorodskij's "Organicheskaja Kristallokhimija", keyed in manually. Saulius Gra\