Crystallography Open Database

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1517990 CIFC197.82 H137.82 Cl5.46C 1 2 153.108; 21.244; 26.197
90; 98.53; 90
29229Matsuno, Taisuke; Sato, Sota; Iizuka, Ryosuke; Isobe, Hiroyuki
Molecular recognition in curved π-systems: effects of π-lengthening of tubular molecules on thermodynamics and structures
Chem. Sci., 2015, 6, 909
1518338 CIFC36 H54 F18 N15 P3 Ru3 S9C 1 2 127.5079; 16.0629; 14.4082
90; 108.033; 90
6053.6Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A.
Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry
Chem. Sci., 2015, 6, 1334
1518597 CIFC25 H22 F4 P2C 1 2 121.0973; 8.3882; 6.3567
90; 102.383; 90
1098.76Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.
Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines
Chem. Sci., 2015, 6, 2016
1518716 CIFC42 H55 Cl2 N5 O10C 1 2 125.187; 8.1556; 21.154
90; 99.308; 90
4288.1Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G.
Large ring-forming alkylations provide facile access to composite macrocycles
Chem. Sci., 2015, 6, 2219
1518906 CIFC34 H18 O2C 1 2 113.707; 6.3468; 13.269
90; 103.472; 90
1122.6Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel
Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties
Chem. Sci., 2015, 6, 3402
1519441 CIFC28 H28 O4C 1 2 122.183; 7.95; 15.744
90; 122.929; 90
2330.5Verrier, Charlie; Melchiorre, Paolo
Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans
Chem. Sci., 2015, 6, 4242
1519634 CIFC63.2 H72.55 I6 N13.06 Zn3C 1 2 135.1081; 14.6516; 31.3279
90; 101.649; 90
15782.8Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519635 CIFC60.26 H61.53 I6 N14 Zn3C 1 2 135.2721; 14.6427; 31.6037
90; 102.029; 90
15964.2Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519636 CIFC84.5 H64 I12.04 N24 S0.5 Zn6C 1 2 134.8299; 14.9133; 31.5387
90; 102.403; 90
15999.8Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519637 CIFC87.64 H68.04 I12 N24 S0.62 Zn6C 1 2 134.4391; 15.0959; 29.9556
90; 101.454; 90
15263.4Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519638 CIFC85.6 H63.3 I12 N24 O1.7 Zn6C 1 2 134.2; 15.1265; 31.003
90; 102.385; 90
15665Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519639 CIFC86.95 H64.82 I12 N24 O1.87 Zn6C 1 2 134.627; 15.0818; 31.194
90; 102.792; 90
15886Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1520529 CIFC51 H30 Co3 N3 O12C 1 2 117.173; 19.784; 13.887
90; 95.771; 90
4694Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.
Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework
Chem. Sci., 2015, 6, 4986
1520530 CIFC51 H30 Co3 N3 O12C 1 2 117.0391; 20.0278; 13.8334
90; 96.243; 90
4692.7Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.
Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework
Chem. Sci., 2015, 6, 4986
1520623 CIFC22 H44 F0.5 N0.5 O7C 1 2 125.1923; 9.6565; 10.6715
90; 92.2457; 90
2594.06Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique
Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity
Chem. Sci., 2015, 6, 5293
1520956 CIFC34 H46 Cl In N4 O2C 1 2 136.78; 8.3688; 24.188
90; 115.26; 90
6733.3Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.
Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization
Chem. Sci., 2015, 6, 5284
1529085 CIFC70 H76 N4C 1 2 134.833; 5.8219; 28.205
90; 98.49; 90
5657.1Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio
A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
Chem. Sci., 2015, 6, 5466
1529087 CIFC70 H74 N6C 1 2 135.689; 5.9481; 28.84
90; 97.562; 90
6069Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio
A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
Chem. Sci., 2015, 6, 5466
1529474 CIFC15 H21 I OC 1 2 122.448; 6.0248; 11.443
90; 97.517; 90
1534.3Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing
Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols
Chem. Sci., 2015, 6, 6986
1529506 CIFC19 H16 O2C 1 2 114.321; 8.9769; 11.71
90; 91.66; 90
1504.78Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd
Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes
Chem. Sci., 2015, 6, 7034

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