# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:35:52+01:00
# 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 'Chemistry Central Journal') AND volume = 10 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
"1547267","8.3512","0.0009","12.56","0.0013","15.3638","0.0016","90","","90","","90","","1611.5","0.3","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Peng Lei; Xuebo Zhang; Yan Xu; Gaofei Xu; Xili Liu; Xinling Yang; Xiaohe Zhang; Yun Ling","Synthesis and fungicidal activity of pyrazole derivatives containing 1,2,3,4-tetrahydroquinoline","Chemistry Central Journal","2016","10","","40","","10.1186/s13065-016-0186-8","","","0.7107","MoKα","","0.046","0.0369","","","0.0809","0.0852","","","","","","1.033","","","","has coordinates","201099","2020-10-21","18:00:00",""
"1547268","9.0486","0.0004","9.1081","0.0005","11.7993","0.0006","68.513","0.005","80.348","0.004","64.771","0.005","818.47","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 S -","- C20 H18 N4 S -","- C40 H36 N8 S2 -","2","1","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","1.54184","CuKα","","0.034","0.032","","","0.0822","0.084","","","","","","1.046","","","","has coordinates","201100","2020-10-21","18:00:00",""
"1547269","14.839","0.0002","11.3364","0.0001","17.8545","0.0002","90","","102.292","0.001","90","","2934.64","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N8 S2 -","- C35 H28 N8 S2 -","- C140 H112 N32 S8 -","4","1","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","1.54184","CuKα","","0.0428","0.0388","","","0.1015","0.1058","","","","","","1.049","","","","has coordinates","201101","2020-10-21","18:00:00",""
"1547270","32.9005","0.0005","8.0484","0.00012","11.51861","0.00019","90","","106.019","0.0017","90","","2931.65","0.08","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 N8 S2 -","- C35 H28 N8 S2 -","- C140 H112 N32 S8 -","4","0.5","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","0.71069","MoKα","","0.0328","0.0317","","","0.0841","0.0852","","","","","","1.033","","","","has coordinates","201102","2020-10-21","18:00:00",""
"1547271","9.13384","0.00013","21.768","0.0003","9.47711","0.00013","90","","93.8246","0.0013","90","","1880.09","0.05","123","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br N4 S -","- C20 H19 Br N4 S -","- C80 H76 Br4 N16 S4 -","4","1","","Ahmed T. A. Boraei; El Sayed H. El Ashry; Axel Duerkop","Regioselectivity of the alkylation of S-substituted 1,2,4-triazoles with dihaloalkanes","Chemistry Central Journal","2016","10","","22","","10.1186/s13065-016-0165-0","","","1.54184","CuKα","","0.0356","0.0293","","","0.0776","0.0802","","","","","","1.072","","","","has coordinates","201103","2020-10-21","18:00:00",""
"1547272","8.3072","0.0011","13.5441","0.0019","17.41","0.002","90","","92.275","0.012","90","","1957.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","","- C22 H21 N3 S -","- C22 H21 N3 S -","- C88 H84 N12 S4 -","4","1","","Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy","Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight","Chemistry Central Journal","2016","10","","13","","10.1186/s13065-016-0158-z","","","0.71073","MoKα","","0.2559","0.0659","","","0.1162","0.1809","","","","","","0.837","","","","has coordinates","201104","2020-10-21","18:00:00",""
"1547273","16.4823","0.0007","16.9423","0.0008","17.6368","0.0007","106.027","0.004","110.499","0.004","96.744","0.004","4306.6","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","2-(10-Octyl-10<i>H</i>-phenothiazin-3-ylmethylene)-malononitrile","2-(10-Octyl-10<i>H</i>-phenothiazin-3-ylmethylene)-malononitrile","","- C24 H25 N3 S -","- C24 H25 N3 S -","- C192 H200 N24 S8 -","8","4","","Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy","Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight","Chemistry Central Journal","2016","10","","13","","10.1186/s13065-016-0158-z","","","0.71073","MoKα","","0.2263","0.0752","","","0.1474","0.2185","","","","","","1.013","","","","has coordinates","211409","2020-10-21","18:00:00",""