Crystallography Open Database
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Searching journal of publication like 'IUCrJ' volume of publication is 2
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1542771 | CIF Paper | C36 H30 B Cl F4 N2 O2 P2 Ru | P 1 21/c 1 | 19.0673; 9.8391; 20.5654 90; 117.58; 90 | 3419.8 | Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis IUCrJ, 2015, 2, 35-44 |
| 1542772 | CIF | C4 H12 K Na O10 | P 21 21 2 | 11.9247; 14.3066; 6.2444 90; 90; 90 | 1065.31 | Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K IUCrJ, 2015, 2, 19-28 |
| 1542773 | CIF | C61 H40 Ag4 F28 N4 O8 | P -1 | 10.6531; 11.2628; 14.4311 72.401; 86.598; 82.882 | 1637.3 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542774 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.1146; 22.7107; 13.2046 90; 111.785; 90 | 3095.07 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542775 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.375; 22.5963; 13.346 90; 113.472; 90 | 3146.5 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542776 | CIF | C20 H8 Ag2 F14 N2 O4 | C 1 2/c 1 | 27.578; 9.267; 21.211 90; 118.142; 90 | 4780 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542777 | CIF | C20 H8 Ag2 F14 N2 O4 | P -1 | 10.782; 11.006; 12.54 71.569; 76.089; 62.229 | 1241.4 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542778 | CIF | C62.275 H42.55 Ag4 F28 N4 O8 | P -1 | 10.6658; 11.2395; 14.325 72.054; 86.608; 83.149 | 1621.6 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542779 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.843; 12.245; 15.7202 90; 109.498; 90 | 4507.9 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542780 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.746; 12.2117; 15.6525 90; 109.192; 90 | 4467.2 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542781 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.817; 12.241; 15.714 90; 109.39; 90 | 4503 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542782 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.638; 12.1718; 15.5632 90; 108.782; 90 | 4418.7 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542783 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.525; 12.1433; 15.4964 90; 108.492; 90 | 4376.8 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542784 | CIF | C39 H46 N6 O7 | P 1 c 1 | 9.076; 8.9616; 22.501 90; 93.554; 90 | 1826.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542785 | CIF | C31 H34 N4 O7 | P 1 21/c 1 | 15.831; 9.3122; 20.211 90; 104.415; 90 | 2885.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542786 | CIF | C27 H30 N2 O9 | P -1 | 9.3506; 10.912; 13.002 76.798; 84.048; 81.58 | 1274.26 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542787 | CIF | C27 H30 N2 O8 | P -1 | 9.3202; 10.7538; 12.9869 79.471; 85.133; 82.377 | 1266 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542788 | CIF | C29 H26 N2 O9 | P -1 | 9.8334; 10.7098; 13.079 102.815; 95.031; 106.846 | 1268.3 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542789 | CIF | C29 H18 N2 O8 | P -1 | 9.806; 10.778; 13.055 102.833; 94.525; 106.943 | 1271.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542790 | CIF | C30 H22 N3 O7 | P -1 | 9.844; 10.636; 13.071 98.324; 94.601; 107.947 | 1276.9 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542791 | CIF | C45 H36 N6 O8 | P -1 | 10.0222; 12.8756; 15.0597 81.685; 83.118; 76.273 | 1860.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542792 | CIF | C31 H28 N2 O9 | P -1 | 10.1899; 11.6532; 13.0214 97.351; 95.446; 115.237 | 1367.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542793 | CIF | C31 H28 N2 O8 | P -1 | 10.0381; 11.5707; 13.0194 76.744; 84.502; 65.573 | 1340.13 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542794 | CIF | C30 H26 N3 O8 | P -1 | 9.9867; 11.2949; 13.04 79.558; 85.192; 66.082 | 1322.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542795 | CIF | C39 H30 N4 O7 | P 1 21/c 1 | 18.0656; 11.6584; 16.661 90; 115.565; 90 | 3165.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542796 | CIF | C27 H20 N2 O7 | C 1 2/c 1 | 21.831; 12.904; 15.876 90; 101.912; 90 | 4376.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542797 | CIF | C31 H30 N2 O8 | P -1 | 9.8782; 11.5881; 13.041 76.595; 85.792; 67.035 | 1336.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542798 | CIF | C39 H34 N4 O7 | P 1 21/c 1 | 20.028; 10.5025; 16.5786 90; 108.851; 90 | 3300.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542799 | CIF | C27 H22 N2 O7 | P 1 21/c 1 | 13.3624; 10.554; 32.5542 90; 95.517; 90 | 4569.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542800 | CIF | C29 H26 N4 O8 | P -1 | 10.0918; 11.4244; 13.052 98.573; 95.19; 115.078 | 1327.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542801 | CIF | C25 H18 N4 O7 | C 1 2/c 1 | 21.647; 12.8623; 15.712 90; 101.543; 90 | 4286.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542802 | CIF | C31 H26 N2 O9 | P -1 | 8.1859; 12.787; 13.173 83.634; 83.848; 73.246 | 1308.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542803 | CIF | C33 H22 N3 O7 | P -1 | 8.416; 12.297; 13.111 87.1; 84.103; 73.503 | 1293.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542804 | CIF | C58 H42 N7 O8 | P -1 | 9.9945; 13.4346; 17.822 81.016; 78.335; 86.046 | 2313.09 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542805 | CIF | C33 H22 N3 O8 | P -1 | 9.48; 11.2614; 13.5129 104.785; 108.855; 90.687 | 1312.95 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542806 | CIF | C33 H22 N3 O7 | P -1 | 4.983; 15.381; 18.142 112.21; 94.99; 94.92 | 1271.77 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542807 | CIF | C29 H21 N2 O7 S | P -1 | 9.8066; 10.4874; 13.0073 97.993; 94.646; 108.15 | 1247.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542808 | CIF | C69 H50 N6 O14 S6 | P -1 | 12.547; 13.299; 18.49 94.246; 90.204; 98.776 | 3040.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542809 | CIF | C30 H20 N2 O7 S | P -1 | 9.974; 11.421; 13.009 78.51; 85.22; 66.39 | 1330.63 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542810 | CIF | C90 H63 N6 O14 | P -1 | 12.664; 13.235; 22.191 104.03; 96.59; 104.04 | 3440.59 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542811 | CIF | C34 H24 N2 O7 | P -1 | 10.5919; 11.6067; 11.6919 85.133; 72.938; 75.632 | 1331.01 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542812 | CIF Paper | C12 H19 N3 O3 S | P 1 21/n 1 | 7.2731; 15.9052; 12.7766 90; 99.291; 90 | 1458.61 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542813 | CIF Paper | C13 H20 N2 O3 S | P 1 21/n 1 | 7.302; 17.189; 12.2835 90; 106.76; 90 | 1476.3 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542814 | CIF Paper | C12 H17 Cl N2 O3 S | P 21 21 21 | 7.1564; 13.369; 15.276 90; 90; 90 | 1461.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542815 | CIF Paper | C12 H19 N3 O3 S | P 21 21 21 | 7.0957; 13.128; 15.3425 90; 90; 90 | 1429.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542816 | CIF Paper | C12 H17 Br N2 O3 S | P 21 21 21 | 7.156; 13.538; 15.406 90; 90; 90 | 1492.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542817 | CIF Paper | C12 H18 N2 O3 S | P 1 21/n 1 | 5.3367; 15.9206; 16.07 90; 98.308; 90 | 1351 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542818 | CIF Paper | C12 H17 Cl N2 O3 S | P 1 21/c 1 | 9.8782; 14.172; 10.8753 90; 112.85; 90 | 1403 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542819 | CIF Paper | C12 H18 N2 O3 S | P 21 21 21 | 7.07; 12.7624; 14.977 90; 90; 90 | 1351.4 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542820 | CIF Paper | C11 H15 Cl N2 O3 S | C 1 2/c 1 | 25.701; 6.8096; 19.177 90; 127.4; 90 | 2666.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542821 | CIF Paper | C11 H15 Br N2 O3 S | C 1 2/c 1 | 25.914; 6.8687; 19.202 90; 126.873; 90 | 2734.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542822 | CIF Paper | C12 H18 N2 O3 S | P -1 | 5.21; 8.449; 16.104 82.894; 82.798; 81.772 | 692 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542823 | CIF Paper | C11 H15 Cl N2 O3 S | P 1 21/c 1 | 10.521; 13.7661; 10.3407 90; 116.31; 90 | 1342.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542824 | CIF Paper | C11 H16 N2 O3 S | P 21 21 21 | 7.1043; 12.7937; 14.0302 90; 90; 90 | 1275.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542825 | CIF | C65 H67 Mn2 N3 O17 | P 1 21/c 1 | 19.6786; 22.7703; 14.8344 90; 104.147; 90 | 6445.5 | Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics IUCrJ, 2015, 2, 552-562 |
| 1542826 | CIF | C30 H62 | P 1 21 1 | 28.172; 4.935; 10.375 90; 90.3; 90 | 1442.4 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542827 | CIF | C30 H62 | P 1 21 1 | 18.43381; 7.175975; 11.02071 90; 101.974; 90 | 1426.1 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542828 | CIF | C28 H58 | P 1 21 1 | 16.00237; 7.154313; 12.40169 90; 109.825; 90 | 1335.67 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542829 | CIF | C30 H62 | P 1 21 1 | 16.0129; 7.14458; 14.09635 90; 118.06; 90 | 1423.14 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542830 | CIF | C26 H54 | P 1 21 1 | 21.44393; 4.937406; 12.34557 90; 105.625; 90 | 1258.81 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542831 | CIF | C28 H58 | P 1 21 1 | 23.4884; 4.93921; 12.33521 90; 109.295; 90 | 1350.68 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542832 | CIF | C30 H62 | P 1 21 1 | 25.6203; 4.93638; 12.32668 90; 112.448; 90 | 1440.84 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542833 | CIF | C32 H66 | P 1 21 1 | 27.78145; 4.933812; 12.38987 90; 115.68; 90 | 1530.52 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542834 | CIF | C30 H62 | P 1 21 1 | 28.09291; 4.932501; 10.36893 90; 90.4059; 90 | 1436.77 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542835 | CIF | C11 H12 O4 | P 1 21/c 1 | 11.216; 8.214; 14.073 90; 128.86; 90 | 1009.6 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542836 | CIF | C22 H24 O8 | P -1 | 5.54; 8.259; 11.281 83.61; 83.275; 74.48 | 492.2 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542837 | CIF | C17 H15 B F2 O4 | C 1 2/c 1 | 21.1854; 7.0826; 10.0747 90; 98.208; 90 | 1496.2 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542838 | CIF | C16 H13 B F2 O3 | P -1 | 8.0234; 9.0901; 10.7916 75.514; 80.766; 69.797 | 712.78 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542839 | CIF | C23 H27 B F2 O2 | C 1 2/c 1 | 28.575; 7.0402; 10.3208 90; 102.92; 90 | 2023.7 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1556736 | CIF Paper | C13 H22 S Si2 | P -1 | 7.2016; 9.7603; 12.2829 95.4952; 92.51; 101.346 | 840.86 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556737 | CIF | C22 H30 S2 Si2 | C 1 2/c 1 | 34.148; 6.869; 10.3442 90; 98.343; 90 | 2400.7 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556738 | CIF | C22 H30 O4 S2 Si2 | P -1 | 6.8197; 12.1073; 16.1123 92.3607; 93.9781; 98.3425 | 1311.34 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556739 | CIF | C22 H30 O4 S2 Si2 | P -1 | 7.3096; 11.3935; 18.7425 73.167; 105.319; 118.926 | 1293.21 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556740 | CIF | C22 H30 O4 S2 Si2 | P -1 | 5.73; 10.2961; 10.9801 85.9433; 79.7181; 80.115 | 627.39 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556741 | CIF | C22 H32 O2 S3 Si2 | C 1 2/c 1 | 34.344; 8.1665; 20.0791 90; 100.532; 90 | 5536.7 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556742 | CIF | C22 H32 O2 S3 Si2 | P c c n | 33.63; 8.271; 19.717 90; 90; 90 | 5484 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556743 | CIF | C22 H30 O2 S3 Si2 | C 1 2/c 1 | 31.8766; 8.4003; 10.0737 90; 95.684; 90 | 2684.2 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556744 | CIF | C22 H30 O8 S3 Si2 | P -1 | 10.5399; 13.8276; 19.9987 79.94; 84.589; 89.771 | 2856.81 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556745 | CIF | C22 H38 S2 Si2 | P 21 21 21 | 7.7849; 10.5146; 31.2712 90; 90; 90 | 2559.7 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556746 | CIF | C20 H28 S3 Si2 | I 1 2/c 1 | 34.443; 6.7415; 10.1978 90; 96.889; 90 | 2350.8 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556760 | CIF | C11 H11 N O5 | P -1 | 6.5133; 8.1853; 11.4965 103.458; 93.925; 113.018 | 539.85 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556761 | CIF | C11 H11 N O6 | P -1 | 6.7358; 6.9119; 12.3937 74.468; 85.298; 73.28 | 532.43 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556762 | CIF | C18 H17 N O10 | P 1 21/c 1 | 6.7323; 12.1142; 21.2077 90; 97.146; 90 | 1716.19 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556763 | CIF | C15 H16 N2 O9 | P 21 21 21 | 7.0213; 8.8214; 25.1416 90; 90; 90 | 1557.21 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556764 | CIF | C15 H16 N2 O9 | P -1 | 4.9225; 11.7839; 13.854 97.248; 96.773; 90.663 | 791.35 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556765 | CIF | C25 H29 N O17 | P -1 | 9.3161; 11.2092; 13.7362 102.926; 104.398; 96.571 | 1332.01 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556766 | CIF | C11 H9 N O5 | P 1 21/n 1 | 10.8426; 6.5202; 16.1326 90; 106.391; 90 | 1094.16 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556767 | CIF | C11 H9 N O6 | I 1 2/a 1 | 12.5506; 6.6807; 26.1586 90; 98.815; 90 | 2167.41 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556768 | CIF | C25 H27 N O17 | P -1 | 9.3796; 10.3981; 15.6415 80.62; 72.913; 66.089 | 1331.3 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556769 | CIF | C19 H19 N O8 | P c a 21 | 40.692; 5.4524; 16.3546 90; 90; 90 | 3628.6 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556770 | CIF | C12 H13 N O6 | P -1 | 6.6761; 9.1128; 10.9447 93.397; 107.694; 108.173 | 593.92 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556771 | CIF | C18 H16 N2 O2 | C 1 2/c 1 | 18.451; 10.54; 8.157 90; 98.824; 90 | 1567.5 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556772 | CIF | C20 H20 N2 O2 | P 1 21/c 1 | 17.899; 4.8544; 9.5259 90; 101.847; 90 | 810.1 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556773 | CIF | C24 H28 N2 O2 | P 1 21/c 1 | 20.243; 4.9756; 20.839 90; 99.148; 90 | 2072.2 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556774 | CIF | C16 H14 N4 O2 | P 1 21/n 1 | 4.7315; 9.213; 16.39 90; 97.02; 90 | 709.1 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556775 | CIF | C18 H26 N4 O6 | P 1 21/c 1 | 9.353; 10.9015; 19.9985 90; 94.547; 90 | 2032.7 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556776 | CIF | C22 H30 N4 O4 | P 1 21/c 1 | 7.6364; 30.058; 4.8885 90; 95.523; 90 | 1116.9 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556777 | CIF | C16 H14 N4 O2 | P 1 21/c 1 | 10.403; 7.16; 19.202 90; 101.156; 90 | 1403.2 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556778 | CIF | C18 H18 N4 O2 | C 1 2/c 1 | 34.566; 9.3338; 10.4191 90; 100.401; 90 | 3306.3 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556779 | CIF | C18 H18 N4 O2 | P 1 21/n 1 | 4.7967; 11.547; 14.726 90; 96.451; 90 | 810.5 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
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