# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-18T08:16:54+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'The Analyst') AND volume = 146 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1562114","7.6479","0.0004","6.3464","0.0003","30.7977","0.0016","90","","94.502","0.002","90","","1490.2","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-Fluorouracil Ferulic Acid Hydrate","5-Fluoropyrimidine-2,4(1H,3H)-dione 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid Hydrate","","- C14 H15 F N2 O7 -","- C14 H15 F N2 O7 -","- C56 H60 F4 N8 O28 -","4","1","","Yu, Yue-Ming; Niu, Yuan-Yuan; Wang, Ling-Yang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Supramolecular self-assembly and perfected in vitro/vivo property of 5-fluorouracil and ferulic acid on the strength of double optimized strategy: the first 5-fluorouracial-phenolic acid nutraceutical cocrystal with synergistic antitumor efficacy","The Analyst","2021","146","8","2506","2519","10.1039/D1AN00171J","","","0.71073","MoKα","","0.0784","0.0451","","","0.0994","0.1123","","","","","","1.036","","","","has coordinates","264559","2021-04-27","00:06:31",""
"1564341","33.96777","0.00012","14.44849","0.00004","31.66428","0.00014","90","","102.711","0.0004","90","","15159.4","0.1","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C100.1 H74.4 Cl12 N24 O2.2 Zn6 -","- C100.1 H74.4 Cl11.998 N24 O2.2 Zn5.999 -","- C400.4 H297.6 Cl47.992 N96 O8.8 Zn23.996 -","4","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0719","0.0703","","","0.2131","0.2169","","","","","","1.083","","","","has coordinates,has disorder","268490","2021-09-06","08:46:02",""
"1564342","33.9894","0.0002","14.4455","0.0001","31.8985","0.0002","90","","103.004","0.001","90","","15260.3","0.18","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C100.1 H74.4 Cl12 N24 O2.2 Zn6 -","- C100.1 H74.4 Cl12 N24 O2.2 Zn6 -","- C400.4 H297.6 Cl48 N96 O8.8 Zn24 -","4","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0831","0.0791","","","0.2365","0.2446","","","","","","1.062","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564343","31.9635","0.0007","7.78","0.0001","30.6494","0.0006","90","","115.897","0.003","90","","6856.4","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69.86 H48.51 Br2 Cu2 N6 O14.22 -","- C69.864 H48.508 Br2 Cu2 N6 O14.218 -","- C279.456 H194.032 Br8 Cu8 N24 O56.872 -","4","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0659","0.0631","","","0.1904","0.1926","","","","","","1.121","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564344","30.0915","0.001","7.7107","0.0001","32.6089","0.0011","90","","117.332","0.004","90","","6721.5","0.4","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H25 Br Cu N3 O7 -","- C36 H25 Br Cu N3 O7 -","- C288 H200 Br8 Cu8 N24 O56 -","8","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0883","0.0845","","","0.2361","0.2394","","","","","","1.123","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564345","10.1914","0.0001","25.0599","0.0004","11.4275","0.0001","90","","91.92","0.001","90","","2916.89","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.35 -","- C62 H55 Co2 N9 O14.35 -","- C124 H110 Co4 N18 O28.7 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0865","0.0857","","","0.2209","0.2214","","","","","","1.163","","","","has coordinates","268490","2021-09-06","08:46:03",""
"1564346","10.209","0.0001","24.9298","0.0003","11.4431","0.0001","90","","92.162","0.001","90","","2910.29","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.6 -","- C62 H55 Co2 N9.001 O14.603 -","- C124 H110 Co4 N18.002 O29.206 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0649","0.0642","","","0.1734","0.1738","","","","","","1.165","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564347","10.197","0.0001","25.0123","0.0003","11.4337","0.0001","90","","91.608","0.001","90","","2915.02","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.23 -","- C62 H55 Co2 N9 O14.236 -","- C124 H110 Co4 N18 O28.472 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0695","0.0681","","","0.1809","0.1821","","","","","","1.136","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564348","10.1921","0.0001","24.8616","0.0003","11.4435","0.0001","90","","91.181","0.001","90","","2899.07","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.7 H53.05 Co2 N8.35 O14.87 -","- C60.7 H53.05 Co2 N8.35 O14.873 -","- C121.4 H106.1 Co4 N16.7 O29.746 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0702","0.0693","","","0.1873","0.188","","","","","","1.168","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564349","10.201","0.0001","24.9173","0.0004","11.4379","0.0001","90","","91.991","0.001","90","","2905.55","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.49 -","- C62 H55 Co2 N9 O14.495 -","- C124 H110 Co4 N18 O28.99 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0761","0.0746","","","0.2012","0.2025","","","","","","1.162","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564350","10.2096","0.0001","25.0473","0.0002","11.4373","0.0001","90","","91.898","0.001","90","","2923.18","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C63.3 H56.95 Co2 N9.65 O14.66 -","- C63.3 H56.95 Co2 N9.65 O14.654 -","- C126.6 H113.9 Co4 N19.3 O29.308 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0577","0.0568","","","0.1455","0.1461","","","","","","1.204","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564351","10.1904","0.0001","24.7362","0.0002","11.4299","0.0001","90","","91.78","0.001","90","","2879.76","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.8 H60.8 Co2 N8 O14.19 -","- C57.8 H60.8 Co2 N8 O14.192 -","- C115.6 H121.6 Co4 N16 O28.384 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0525","0.0501","","","0.135","0.1367","","","","","","1.075","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564352","10.1988","0.0001","24.6101","0.0002","11.4337","0.0001","90","","92.754","0.001","90","","2866.47","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H64 Co2 N8 O14.16 -","- C59 H64 Co2 N8 O14.176 -","- C118 H128 Co4 N16 O28.352 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0561","0.053","","","0.1424","0.1444","","","","","","1.07","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564353","10.1997","0.0002","24.6572","0.0006","11.4298","0.0002","90","","92.469","0.002","90","","2871.88","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H64 Co2 N8 O14.19 -","- C59 H64 Co2 N8 O14.187 -","- C118 H128 Co4 N16 O28.374 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.1281","0.1188","","","0.3182","0.3341","","","","","","1.038","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564354","10.1785","0.0002","24.7746","0.0004","11.4257","0.0001","90","","91.43","0.001","90","","2880.3","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58.03 H61.41 Co2 N8 O14.17 -","- C58.037 H61.432 Co2 N8 O14.168 -","- C116.074 H122.864 Co4 N16 O28.336 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0659","0.0589","","","0.1519","0.157","","","","","","1.062","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""