Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1514581 | CIF | C28 H27 N3 O3 | P 1 | 9.552; 10.569; 13.458 71.185; 76.497; 77.422 | 1235.4 | Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science, 2013, 4, 1308 |
| 1514582 | CIF | C28 H28 N2 O4 | P 21 21 21 | 11.118; 16.129; 26.837 90; 90; 90 | 4812 | Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science, 2013, 4, 1308 |
| 1514583 | CIF | C7 H18 Ca N O8 P | P 21 21 21 | 6.8101; 9.5015; 21.2601 90; 90; 90 | 1375.66 | Liang, Xiaoqiang; Zhang, Feng; Feng, Wei; Zou, Xiaoqin; Zhao, Chengji; Na, Hui; Liu, Cong; Sun, Fuxing; Zhu, Guangshan From metal–organic framework (MOF) to MOF–polymer composite membrane: enhancement of low-humidity proton conductivity Chemical Science, 2013, 4, 983 |
| 1514584 | CIF | C33 H50 Au N3 | P 1 21/c 1 | 12.5384; 13.4689; 19.1735 90; 93.373; 90 | 3232.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
| 1514585 | CIF | C33 H51 Au B F4 N3 | P 21 21 21 | 12.0547; 14.2387; 20.0505 90; 90; 90 | 3441.5 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
| 1514586 | CIF | C37 H50 Au N3 O | P 1 21/n 1 | 12.5675; 19.0611; 14.9662 90; 108.971; 90 | 3390.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
| 1514587 | CIF | C36 H53 Au N4 | P 1 21/c 1 | 10.8111; 20.7615; 16.2556 90; 103.247; 90 | 3551.6 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
| 1514588 | CIF | C45 H58 Au N2 P | P b c a | 14.8187; 19.5498; 28.0267 90; 90; 90 | 8119.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
| 1514589 | CIF | C45 H59 Au B F4 N2 P | P 1 2/n 1 | 11.8034; 8.9229; 50.327 90; 92.992; 90 | 5293.2 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
| 1514590 | CIF | C37 H59 Au B Cl4 F4 N2 P | P -1 | 11.9915; 12.2396; 16.7165 96.555; 108.386; 105.096 | 2195.7 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
| 1514591 | CIF | C45 H59 Cl N P Pd | P -1 | 10.1656; 13.4105; 15.503 97.346; 101.171; 101.772 | 1998.7 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
| 1514592 | CIF | C57.5 H45 Cl4 N P2 Pd | P 1 21/n 1 | 14.55; 13.7601; 23.806 90; 94.469; 90 | 4751.7 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
| 1514593 | CIF | C50 H72 N O4 P Pd S | P -1 | 12.3071; 13.5653; 14.7831 102.455; 94.481; 98.654 | 2366.8 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
| 1514594 | CIF | C44 H62 Cl4 N O3 P Pd S | P -1 | 10.8288; 13.3096; 17.347 110.42; 93.341; 103.421 | 2252.3 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
| 1514595 | CIF | C48 H66 N O5 P Pd S | P 1 21/n 1 | 15.5569; 17.0797; 16.7243 90; 94.222; 90 | 4431.7 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
| 1514596 | CIF | C60.5 H52 Cl7 N O3 P2 Pd S | P -1 | 13.9763; 20.426; 21.29 75.424; 85.472; 76.307 | 5713.9 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
| 1514597 | CIF | C15 H19 I N4 O4 | P 1 21/n 1 | 12.572; 9.3235; 15.1484 90; 90.258; 90 | 1775.6 | Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen–sulfur double bonds and carbon–sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science, 2013, 4, 1016 |
| 1514598 | CIF | C17 H15 I N4 O4 | P -1 | 7.1296; 7.4865; 17.896 87.393; 84.501; 71.105 | 899.5 | Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen–sulfur double bonds and carbon–sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science, 2013, 4, 1016 |
| 1514599 | CIF | C31 H22 Cl2 F4 Ir N2 O | P 1 21/n 1 | 10.3467; 11.3394; 23.95 90; 92.079; 90 | 2808.1 | Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science, 2013, 4, 1175 |
| 1514600 | CIF | C30 H19 F4 Ir N2 O | P 1 21/n 1 | 9.7368; 16.1179; 15.8357 90; 91.275; 90 | 2484.6 | Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science, 2013, 4, 1175 |
| 1514601 | CIF | C8 H10 O4 | P -1 | 6.6342; 7.2435; 9.0416 101.074; 109.754; 99.964 | 387.76 | Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno Stereoselective intramolecular cyclopropanation through catalytic olefin activation Chemical Science, 2013, 4, 1105 |
| 1514602 | CIF | C8 H15 F6 N2 P | P b c a | 9.3855; 9.7769; 26.717 90; 90; 90 | 2451.58 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
| 1514603 | CIF | C8 H15 F6 N2 P | P b c a | 9.4924; 9.8406; 26.8817 90; 90; 90 | 2511 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
| 1514604 | CIF | C8 H15 F6 N2 P | P -1 | 9.3869; 9.5879; 14.4964 98.492; 98.354; 101.089 | 1245.85 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
| 1514605 | CIF | C8 H15 F6 N2 P | P -1 | 9.5818; 9.5826; 14.5801 99.219; 99.252; 99.667 | 1278.2 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
| 1514606 | CIF | C8 H15 F6 N2 P | P -1 | 8.8215; 9.0796; 9.0381 96.671; 114.768; 103.071 | 621.82 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
| 1514607 | CIF | C16 H16 N2 O5 S | P 1 21 1 | 4.92063; 15.6607; 10.4554 90; 99.6328; 90 | 794.34 | Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru Modified McFadyen–Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations Chemical Science, 2013, 4, 1111 |
| 1514608 | CIF | C108 H71 F30 N6 O8 S4 | P -1 | 12.2352; 16.6412; 25.9304 76.808; 80.972; 74.261 | 4922.1 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
| 1514609 | CIF | C75 H32 Cl4 F30 N6 S4 | P -1 | 12.2654; 15.3627; 24.8758 101.432; 93.5605; 112.749 | 4186.74 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
| 1514610 | CIF | C75.78 H37.56 Cl3.56 F30 N6 S4 | P 1 21/n 1 | 16.133; 7.8286; 29.837 90; 102.318; 90 | 3681.6 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
| 1514611 | CIF | C119 H162 F3 Fe5 N17 O41 S Yb3 | P -1 | 16.483; 19.8976; 20.2276 76.119; 74.622; 81.57 | 6185.3 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
| 1514612 | CIF | C85 H111 Fe4 N7 O29 Yb2 | P -1 | 14.2113; 18.558; 19.2 84.231; 70.788; 83.144 | 4737.3 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
| 1514613 | CIF | C72 H94 Fe3 N5 O25 Yb2 | P 1 21/c 1 | 19.9227; 19.679; 22.0382 90; 108.184; 90 | 8208.8 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
| 1514614 | CIF | C61 H115 Fe4 N7 O27 S2 Yb2 | P 1 21/c 1 | 14.449; 24.951; 23.76 90; 101.82; 90 | 8384 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
| 1514615 | CIF | C182 H353 Fe10 N51 O90 Yb10 | P -1 | 16.553; 20.5964; 21.1312 108.791; 101.118; 95.993 | 6583.9 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
| 1514616 | CIF | C46 H60 N2 O14 Yb2 | P 1 21/n 1 | 9.898; 14.2365; 17.039 90; 94.369; 90 | 2394 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
| 1514617 | CIF | C17 H31 Cl N2 O6 | P 31 | 32.591; 32.591; 5.1877 90; 90; 120 | 4772 | Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination Chemical Science, 2013, 4, 4494 |
| 1514618 | CIF | C52 H62 N4 O10 S2 | P -1 | 7.5487; 12.3687; 13.3085 86.885; 79.43; 78.079 | 1194.98 | Wu, Guanglu; Verwilst, Peter; Liu, Kai; Smet, Mario; Faul, Charl F. J.; Zhang, Xi Controlling the self-assembly of cationic bolaamphiphiles: counterion-directed transitions from 0D/1D to exclusively 2D planar structures Chemical Science, 2013, 4, 4486 |
| 1514619 | CIF | C65 H88 Mg2 N4 O3 | P 21 21 21 | 10.8296; 22.4623; 24.9069 90; 90; 90 | 6058.8 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514620 | CIF | C59 H82 Mg2 N4 O3 | C 1 2/c 1 | 48.559; 13.67; 17.5247 90; 103.46; 90 | 11313.4 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514621 | CIF | C60 H82 Mg2 N4 O4 | P c c n | 14.5246; 15.621; 25.9215 90; 90; 90 | 5881.3 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514622 | CIF | C58 H84 Mg2 N4 O2 | C 1 2/c 1 | 22.886; 14.823; 16.196 90; 90.65; 90 | 5494 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514623 | CIF | C72 H104 Mg2 N4 O3 | P -1 | 12.168; 12.6241; 13.176 98.046; 111.433; 109.68 | 1692.2 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514624 | CIF | C73 H106 Mg2 N4 O4 | P 1 21/n 1 | 12.749; 14.372; 18.802 90; 95.03; 90 | 3431.8 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514625 | CIF | C59 H82 Mg2 N4 O S2 | P b c a | 14.86; 17.21; 45.3 90; 90; 90 | 11585 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514626 | CIF | C83 H116 Mg2 N6 O | P 31 2 1 | 12.0374; 12.0374; 44.799 90; 90; 120 | 5621.7 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514627 | CIF | C63 H92 Mg2 N4 O2 S2 | P -1 | 13.1816; 16.205; 31.9827 79.216; 83.332; 68.828 | 6249.3 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
| 1514628 | CIF | C26 H23 N O3 S | P 1 21 1 | 8.6436; 12.2137; 10.588 90; 100.721; 90 | 1098.27 | Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio Enantioselective [3 + 2] annulation via C–H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes Chemical Science, 2013, 4, 4499 |
| 1514629 | CIF | C15 H16 N4 O4 | P 1 21/c 1 | 11.2358; 9.1056; 15.9131 90; 104.579; 90 | 1575.6 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
| 1514630 | CIF | C15 H15 F N4 O4 | P 1 21/c 1 | 11.30697; 9.06586; 15.94455 90; 105.28; 90 | 1576.66 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
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