# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T14:16:32+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 'Journal of Molecular Structure') AND volume = 734 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
"1100989","8.315","0.007","7.046","0.006","9.099","0.008","90","","107.483","0.017","90","","508.4","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-ethylurea","","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C12 H32 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1562","0.0856","","","0.204","0.2321","","","","","","0.942","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100992","4.6629","0.0015","5.7364","0.0019","25.863","0.008","90","","94.627","0.005","90","","689.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-butylurea","","","- C5 H12 N2 O -","- C5 H12 N2 O -","- C20 H48 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.0652","0.0489","","","0.132","0.1412","","","","","","0.988","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100995","13.026","0.003","7.2083","0.0016","9.277","0.002","90","","110.861","0.003","90","","813.9","0.3","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-pentylurea","","","- C6 H14 N2 O -","- C6 H14 N2 O -","- C24 H56 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1071","0.049","","","0.1089","0.1241","","","","","","0.829","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100996","12.976","0.003","7.4298","0.0016","9.287","0.002","90","","92.73","0.004","90","","894.4","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-hexylurea","","","- C7 H16 N2 O -","- C7 H16 N2 O -","- C28 H64 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.089","0.0529","","","0.1273","0.1424","","","","","","0.897","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1100998","14.407","0.004","7.529","0.0018","9.318","0.002","90","","102.426","0.004","90","","987.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-heptylurea","","","- C8 H18 N2 O -","- C8 H18 N2 O -","- C32 H72 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1446","0.0786","","","0.1945","0.2253","","","","","","0.897","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101000","16.407","0.018","7.558","0.009","9.321","0.011","90","","93.17","0.03","90","","1154","2","360","2","360","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-octylurea","","","- C9 H20 N2 O -","- C9 H15 N2 O -","- C36 H60 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.2218","0.1206","","","0.2751","0.3131","","","","","","0.781","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1101001","32.02","0.006","7.4123","0.0014","9.3147","0.0017","90","","97.939","0.004","90","","2189.6","0.7","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","n-octylurea","","","- C9 H20 N2 O -","- C9 H20 N2 O -","- C72 H160 N16 O8 -","8","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.093","0.0607","","","0.1587","0.1725","","","","","","0.955","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101002","17.774","0.004","7.4623","0.0016","9.264","0.002","90","","103.726","0.004","90","","1193.7","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-nonylurea","","","- C10 H22 N2 O -","- C10 H22 N2 O -","- C40 H88 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1056","0.0566","","","0.1357","0.1549","","","","","","0.856","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101004","18.336","0.004","7.5383","0.0015","9.2943","0.0019","90","","94.584","0.004","90","","1280.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-decylurea","","","- C11 H24 N2 O -","- C11 H24 N2 O -","- C44 H96 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.131","0.0474","","","0.0968","0.1126","","","","","","0.786","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101005","18.007","0.004","7.5233","0.0015","9.2731","0.0018","90","","96.371","0.004","90","","1248.5","0.4","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-decylurea","","","- C11 H24 N2 O -","- C11 H24 N2 O -","- C44 H96 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1258","0.0517","","","0.1201","0.1425","","","","","","0.754","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101007","19.617","0.003","7.5941","0.0013","9.3394","0.0016","90","","97.54","0.003","90","","1379.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-undecylurea","","","- C12 H26 N2 O -","- C12 H26 N2 O -","- C48 H104 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.0838","0.06","","","0.164","0.1767","","","","","","1.021","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101008","42.43","0.01","7.5982","0.0018","9.295","0.002","90","","95.624","0.004","90","","2982.3","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","n-dodecylurea","","","- C13 H28 N2 O -","- C13 H28 N2 O -","- C104 H224 N16 O8 -","8","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1497","0.0563","","","0.1178","0.1392","","","","","","0.905","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101009","21.1","0.009","7.364","0.003","9.2","0.004","90","","95.085","0.008","90","","1423.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-dodecylurea","","","- C13 H28 N2 O -","- C13 H28 N2 O -","- C52 H112 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1762","0.0793","","","0.1874","0.2223","","","","","","0.845","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101010","23.124","0.008","7.542","0.002","9.299","0.003","90","","99.751","0.007","90","","1598.3","0.9","314","2","314","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tridecylurea","","","- C14 H30 N2 O -","- C14 H30 N2 O -","- C56 H120 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.2381","0.069","","","0.1585","0.2057","","","","","","0.687","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101011","22.936","0.005","7.4127","0.0016","9.314","0.002","90","","99.29","0.004","90","","1562.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tridecylurea","","","- C14 H30 N2 O -","- C14 H30 N2 O -","- C56 H120 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1381","0.0729","","","0.1601","0.1827","","","","","","0.883","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101012","21.986","0.01","7.405","0.003","9.313","0.004","90","","93.909","0.008","90","","1512.7","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tridecylurea","","","- C14 H30 N2 O -","- C14 H30 N2 O -","- C56 H120 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1411","0.0801","","","0.2073","0.2288","","","","","","0.937","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101013","23.601","0.007","7.639","0.002","9.326","0.003","90","","94.882","0.006","90","","1675.4","0.9","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tetradecylurea","","","- C15 H32 N2 O -","- C15 H32 N2 O -","- C60 H128 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1789","0.0583","","","0.1353","0.166","","","","","","0.831","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101014","23.257","0.006","7.4723","0.0019","9.269","0.002","90","","90.332","0.005","90","","1610.8","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","n-tetradecylurea","","","- C15 H32 N2 O -","- C15 H32 N2 O -","- C60 H128 N8 O4 -","4","1","","Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi","Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study","Journal of Molecular Structure","2005","734","1-3","23","33","10.1016/j.molstruc.2004.08.008","","","0.71073","MoKα","","0.1301","0.0602","","","0.1349","0.1587","","","","","","0.882","","","","has coordinates","301773","2025-08-18","12:42:42",""