# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-18T15:33:33+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 'Journal of agricultural and food chemistry') AND volume = 67 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
"1552482","7.144","0.0002","17.6831","0.0005","18.5462","0.0005","90","","90","","90","","2342.91","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N3 O4 -","- C26 H29 N3 O4 -","- C104 H116 N12 O16 -","4","1","","Zhang, Peng; Yuan, Xiao-Long; Du, Yong-Mei; Zhang, Huai-Bao; Shen, Guo-Ming; Zhang, Zhong-Feng; Liang, Yu-Jun; Zhao, Dong-Lin; Xu, Kuo","Angularly Prenylated Indole Alkaloids with Antimicrobial and Insecticidal Activities from an Endophytic Fungus <i>Fusarium sambucinum</i> TE-6L.","Journal of agricultural and food chemistry","2019","67","43","11994","12001","10.1021/acs.jafc.9b05827","","","1.54184","CuKα","","0.0472","0.0432","","","0.1162","0.119","","","","","","1.052","","","","has coordinates,has disorder","223213","2020-10-21","18:00:00",""
"1552483","25.1091","0.0019","7.6592","0.0005","17.011","0.0012","90","","103.07","0.008","90","","3186.7","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C144 H152 N24 O24 -","8","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0487","0.0397","","","0.0879","0.0945","","","","","","1.096","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552484","7.7965","0.0009","8.649","0.0009","10.9982","0.0011","88.093","0.009","83.682","0.009","89.913","0.009","736.72","0.14","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0441","0.0386","","","0.0863","0.0906","","","","","","1.027","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552485","14.0408","0.001","15.4293","0.0013","16.5882","0.0013","90","","93.136","0.006","90","","3588.3","0.5","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C160 H184 N24 O24 -","8","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0625","0.0458","","","0.1062","0.1168","","","","","","1.04","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552486","7.2225","0.0005","9.7431","0.0007","13.8099","0.0007","72.442","0.005","88.586","0.005","80.117","0.006","912.39","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Cl2 N3 O3 -","- C21 H15 Cl2 N3 O3 -","- C42 H30 Cl4 N6 O6 -","2","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0486","0.0385","","","0.0935","0.1014","","","","","","1.038","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552553","6.4844","0.0006","8.7749","0.0008","39.69","0.004","90","","90","","90","","2258.4","0.4","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N O5 -","- C23 H27 Cl N O5 -","- C92 H108 Cl4 N4 O20 -","4","1","","Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You","Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.","Journal of agricultural and food chemistry","2019","67","8","2175","2182","10.1021/acs.jafc.8b05628","","","0.71073","MoKα","","0.1569","0.1441","","","0.3532","0.3645","","","","","","1.075","","","","has coordinates,has disorder","222056","2020-10-21","18:00:00",""
"1552554","7.3616","0.0005","8.6802","0.0004","31.9635","0.0016","90","","92.7","0.006","90","","2040.2","0.2","293","2","293.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C21 H24 Cl N O4 -","- C21 H24 Cl N O4 -","- C84 H96 Cl4 N4 O16 -","4","1","","Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You","Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.","Journal of agricultural and food chemistry","2019","67","8","2175","2182","10.1021/acs.jafc.8b05628","","x-ray","0.71073","MoKα","","0.0517","0.0412","","","0.0899","0.0983","","","","","","1.052","","","","has coordinates","222057","2020-10-21","18:00:00",""
"1552555","19.735","0.007","7.1382","0.0019","13.804","0.004","90","","95.834","0.009","90","","1934.5","1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl2 N4 O S2 -","- C19 H14 Cl2 N4 O S2 -","- C76 H56 Cl8 N16 O4 S8 -","4","1","","Wu, Qifan; Zhao, Bin; Fan, Zhijin; Guo, Xiaofeng; Yang, Dongyan; Zhang, Nailou; Yu, Bin; Zhou, Shuang; Zhao, Jiabao; Chen, Fan","Discovery of Novel Piperidinylthiazole Derivatives As Broad-Spectrum Fungicidal Candidates.","Journal of agricultural and food chemistry","2019","67","5","1360","1370","10.1021/acs.jafc.8b06054","","","0.71073","MoKα","","0.0354","0.0275","","","0.0703","0.0734","","","","","","1.026","","","","has coordinates","222058","2020-10-21","18:00:00",""
"1552556","17.488","0.004","8.8509","0.0018","9.5081","0.0019","90","","97.51","0.03","90","","1459.1","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Guo, Xiaofeng; Zhao, Bin; Fan, Zhijin; Yang, Dongyan; Zhang, Nailou; Wu, Qifan; Yu, Bin; Zhou, Shuang; Kalinina, Tatiana A.; Belskaya, Nataliya P.","Discovery of Novel Thiazole Carboxamides as Antifungal Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2019","67","6","1647","1655","10.1021/acs.jafc.8b06935","","","0.71073","MoKα","","0.1005","0.0762","","","0.2098","0.2317","","","","","","1.03","","","","has coordinates","222059","2020-10-21","18:00:00",""
"1552557","7.2642","0.0015","11.55","0.002","13.424","0.003","69.71","0.03","84.79","0.03","73.31","0.03","1011.9","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 F4 N2 O3 S2 -","- C19 H15 F4 N2 O3 S2 -","- C38 H30 F8 N4 O6 S4 -","2","1","","Guo, Xiaofeng; Zhao, Bin; Fan, Zhijin; Yang, Dongyan; Zhang, Nailou; Wu, Qifan; Yu, Bin; Zhou, Shuang; Kalinina, Tatiana A.; Belskaya, Nataliya P.","Discovery of Novel Thiazole Carboxamides as Antifungal Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2019","67","6","1647","1655","10.1021/acs.jafc.8b06935","","","0.71073","MoKα","","0.0896","0.0538","","","0.1337","0.1927","","","","","","1.012","","","","has coordinates","222060","2020-10-21","18:00:00",""
"1552919","8.18909","0.0001","29.7457","0.0005","15.1177","0.0003","90","","90.1069","0.0015","90","","3682.52","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl6 O10 -","- C31 H40 Cl6 O10 -","- C124 H160 Cl24 O40 -","4","2","","Li, Tian-Xiao; Xiong, Ya-Mei; Chen, Xin; Yang, Ya-Nan; Wang, Ying; Jia, Xue-Wei; Yang, Xue-Peng; Tan, Lan-Lan; Xu, Chun-Ping","Antifungal Macrocyclic Trichothecenes from the Insect-Associated Fungus <i>Myrothecium roridum</i>.","Journal of agricultural and food chemistry","2019","67","47","13033","13039","10.1021/acs.jafc.9b04507","","x-ray","1.54184","CuKα","","0.0698","0.0619","","","0.1724","0.1832","","","","","","1.025","","","","has coordinates,has disorder","246568","2020-10-21","18:00:00",""
"1552922","10.994","0.002","19.344","0.004","8.4094","0.0017","90","","100.34","0.03","90","","1759.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl2 F2 N3 O -","- C18 H13 Cl2 F2 N3 O -","- C72 H52 Cl8 F8 N12 O4 -","4","1","","Yang, Dongyan; Zhao, Bin; Fan, Zhijin; Yu, Bin; Zhang, Nailou; Li, Zhengming; Zhu, Yilin; Zhou, Jinghui; Kalinina, Tatiana A.; Glukhareva, Tatiana V.","Synthesis and Biological Activity of Novel Succinate Dehydrogenase Inhibitor Derivatives as Potent Fungicide Candidates.","Journal of agricultural and food chemistry","2019","67","47","13185","13194","10.1021/acs.jafc.9b05751","","","0.71073","MoKα","","0.0923","0.0599","","","0.145","0.1903","","","","","","1.04","","","","has coordinates","246567","2020-10-21","18:00:00",""