# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-21T21:59:41+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 'Chemistry Central Journal') AND volume = 6 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
"1547192","7.60872","0.00014","10.09635","0.00018","11.4337","0.0002","72.858","0.005","88.015","0.007","82.627","0.006","832.38","0.04","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 Na2 O11 -","- C14 H4 N2 Na2 O11 -","- C28 H8 N4 Na4 O22 -","2","1","","Kazuto Ikemoto; Hitoshi Sakamoto; Masahiko Nakano","Crystal structure and characterization of pyrroloquinoline quinone disodium trihydrate","Chemistry Central Journal","2012","6","","57","","10.1186/1752-153X-6-57","","","1.54187","CuKα","","","0.0475","","","","0.1429","","","","","","1.085","","","","has coordinates","200932","2020-10-21","18:00:00",""
"1547201","7.3859","0.0003","20.6898","0.0009","12.4157","0.0006","90","","90.165","0.001","90","","1897.27","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0695","0.0523","","","0.1308","0.1429","","","","","","1.014","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547202","7.715","0.004","13.604","0.007","36.769","0.016","90","","90","","90","","3859","3","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C168 H256 O24 -","8","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.121","0.061","","","0.1293","0.1691","","","","","","1.033","","","","has coordinates","200967","2020-10-21","18:00:00",""
"1547203","7.7609","0.0005","13.2141","0.0008","18.6769","0.0011","90","","92.246","0.001","90","","1913.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H31 O4 -","- C21 H31 O3.75 -","- C84 H124 O15 -","4","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0699","0.0523","","","0.1342","0.1544","","","","","","1.053","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547204","11.5169","0.0019","6.7843","0.0012","12.82","0.002","90","","109.27","0.004","90","","945.6","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H35 O4 -","- C20 H35 O4 -","- C40 H70 O8 -","2","1","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.0791","0.0452","","","0.0808","0.0914","","","","","","0.873","","","","has coordinates","200969","2020-10-21","18:00:00",""
"1547253","11.0707","0.0003","11.3028","0.0003","14.8929","0.0003","84.963","0.001","75.975","0.001","87.924","0.001","1800.8","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 Br2 N4 -","- C36 H32 Br2 N4 -","- C72 H64 Br4 N8 -","2","1","","Rosenani A Haque; Muhammad Adnan Iqbal; Mohamed B Khadeer Ahamed; AMS Abdul Majid; Zena A Abdul Hameed","Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: potential anticancer agents against human colon cancer","Chemistry Central Journal","2012","6","","68","","10.1186/1752-153X-6-68","","","0.71073","MoKα","","0.0638","0.0472","","","0.1305","0.1376","","","","","","1.076","","","","has coordinates","201072","2020-10-21","18:00:00",""
"1547254","16.452","0.0009","12.0683","0.0007","16.298","0.0009","90","","103.064","0.001","90","","3152.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C112 H128 F48 N16 P8 -","4","1","","Rosenani A Haque; Muhammad Adnan Iqbal; Mohamed B Khadeer Ahamed; AMS Abdul Majid; Zena A Abdul Hameed","Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: potential anticancer agents against human colon cancer","Chemistry Central Journal","2012","6","","68","","10.1186/1752-153X-6-68","","","0.71073","MoKα","","0.0546","0.0424","","","0.1187","0.1293","","","","","","1.029","","","","has coordinates,has disorder","201073","2020-10-21","18:00:00",""
"1547261","9.4583","0.0019","10.494","0.002","11.545","0.002","70.49","0.03","73.27","0.03","64","0.03","957.2","0.4","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cl N2 O2 -","- C20 H23 Cl N2 O2 -","- C40 H46 Cl2 N4 O4 -","2","1","","Rui Wu; Cong Zhu; Xiu-Jiang Du; Li-Xia Xiong; Shu-Jing Yu; Xing-Hai Liu; Zheng-Ming Li; Wei-Guang Zhao","Synthesis, crystal structure and larvicidal activity of novel diamide derivatives against Culex pipiens","Chemistry Central Journal","2012","6","","99","","10.1186/1752-153X-6-99","","x-ray","0.71073","MoKα","","0.1115","0.0476","","","0.0971","0.1174","","","","","","1.043","","","","has coordinates","211137","2020-10-21","18:00:00",""