Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials' volume of publication is 72
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2020509 | CIF HKL Paper | C22 H23 N3 O4 | P 1 c 1 | 13.966; 12.991; 11.225 90; 100.931; 90 | 1999.6 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020510 | CIF HKL | C28 H33 N3 O8 | P 1 21/c 1 | 14.2922; 27.5; 7.0784 90; 90.467; 90 | 2782 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020511 | CIF HKL | C27 H33 N3 O9 | P -1 | 7.916; 14.012; 14.349 61.73; 79.64; 86.58 | 1378 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020512 | CIF HKL | C26 H31 N3 O9 | P 1 21/c 1 | 13.4269; 24.169; 8.0606 90; 92.41; 90 | 2613.5 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020513 | CIF HKL | C23 H27 N5 O5 | P c c n | 21.6051; 23.7024; 8.9076 90; 90; 90 | 4561.5 | Sanphui, Palash; Rajput, Lalit; Gopi, Shanmukha Prasad; Desiraju, Gautam R. New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation Acta Crystallographica Section B, 2016, 72, 291-300 |
| 2020661 | CIF | H0.5 K1.5 Mg2 O7 Si2 | P 63/m c m | 5.0535; 5.0535; 13.2229 90; 90; 120 | 292.44 | Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B, 2016, 72, 822-827 |
| 2020662 | CIF | H0 K1.5 Mg2 O7 Si2 | C m c m | 8.7623; 5.0703; 13.2505 90; 90; 90 | 588.69 | Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B, 2016, 72, 822-827 |
| 2107440 | CIF HKL Paper | C21 H24 F N3 O8 | P -1 | 9.579; 9.806; 11.612 78.66; 89.44; 78.85 | 1048.8 | Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang Salt screening and characterization of ciprofloxacin Acta Crystallographica Section B, 2016, 72, 20-28 |
| 2107441 | CIF HKL | C38 H46 F2 N6 O13 | P 1 21/n 1 | 9.922; 30.199; 13.528 90; 109.717; 90 | 3816 | Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang Salt screening and characterization of ciprofloxacin Acta Crystallographica Section B, 2016, 72, 20-28 |
| 2107442 | CIF HKL | C21 H22 F N3 O7 | P 1 21/c 1 | 13.956; 10.459; 15.184 90; 108.765; 90 | 2098.5 | Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang Salt screening and characterization of ciprofloxacin Acta Crystallographica Section B, 2016, 72, 20-28 |
| 2107443 | CIF HKL | C44 H58 F2 N6 O17 | P -1 | 10.225; 13.835; 18.56 72.83; 86.82; 68.03 | 2321.9 | Zhang, Guoshun; Zhang, Li; Yang, Dezhi; Zhang, Na; He, Lan; Du, Guanhua; Lu, Yang Salt screening and characterization of ciprofloxacin Acta Crystallographica Section B, 2016, 72, 20-28 |
| 2107444 | CIF HKL Paper | C24 H34 O2 S2 | P -1 | 5.047; 6.979; 16.333 98.79; 93.52; 95.39 | 564.3 | Ahmed, Maqsood; Nassour, Ayoub; Noureen, Sajida; Lecomte, Claude; Jelsch, Christian Experimental and theoretical charge-density analysis of 1,4-bis(5-hexyl-2-thienyl)butane-1,4-dione: applications of a virtual-atom model Acta Crystallographica Section B, 2016, 72, 75-86 |
| 2107445 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6047; 3.6047; 5.184 90; 90; 90 | 67.36 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107446 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6053; 3.6053; 5.1843 90; 90; 90 | 67.387 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107447 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.164; 5.206; 5.325 90; 98.7; 90 | 141.51 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107448 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6055; 3.6055; 5.1841 90; 90; 90 | 67.391 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107449 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1623; 5.2052; 5.3229 90; 98.63; 90 | 141.41 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107450 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6059; 3.6059; 5.1838 90; 90; 90 | 67.402 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107451 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1595; 5.2069; 5.3223 90; 98.78; 90 | 141.31 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107452 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6062; 3.6062; 5.1841 90; 90; 90 | 67.418 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107453 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1604; 5.2072; 5.3208 90; 98.822; 90 | 141.28 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107454 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.612; 3.612; 5.172 90; 90; 90 | 67.48 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107455 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1603; 5.2086; 5.3211 90; 98.912; 90 | 141.29 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107456 | CIF HKL Paper | C15 H16 N2 O3 | P 1 21/c 1 | 10.116; 28.856; 4.8378 90; 103.908; 90 | 1370.8 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107457 | CIF HKL Paper | C15 H16 N2 O3 | P 1 21/c 1 | 10.144; 28.891; 4.847 90; 103.763; 90 | 1379.7 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107458 | CIF Paper | C15 H16 N2 O3 | C m c e | 19.638; 4.8378; 28.856 90; 90; 90 | 2741.5 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107459 | CIF Paper | C15 H16 N2 O3 | C m c e | 19.705; 4.847; 28.891 90; 90; 90 | 2759.4 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107460 | CIF HKL Paper | C15 H12 N2 O | P 1 21/n 1 | 7.498; 11.058; 13.789 90; 92.838; 90 | 1141.9 | Sovago, Ioana; Gutmann, Matthias J.; Senn, Hans Martin; Thomas, Lynne H.; Wilson, Chick C.; Farrugia, Louis J. Electron density, disorder and polymorphism: high-resolution diffraction studies of the highly polymorphic neuralgic drug carbamazepine Acta Crystallographica Section B, 2016, 72, 39-50 |
| 2107461 | CIF HKL Paper | C9 H7 N O4 | C 1 2/c 1 | 12.76; 8.0593; 16.6668 90; 104.61; 90 | 1658.53 | Wang, Ai; Ashurov, Jamshid; Ibragimov, Aziz; Wang, Ruimin; Mouhib, Halima; Mukhamedov, Nasir; Englert, Ulli Charge density of the biologically active molecule (2-oxo-1,3-benzoxazol-3(2<i>H</i>)-yl)acetic acid Acta Crystallographica Section B, 2016, 72, 142-150 |
| 2107462 | CIF HKL Paper | Ca2 H4 O9 P2 | P 1 21/n 1 | 12.60842; 9.24278; 6.74885 90; 104.992; 90 | 759.721 | Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis Acta Crystallographica Section B, 2016, 72, 96-101 |
| 2107463 | CIF Paper | Ca2 H4 O9 P2 | P 1 21/n 1 | 12.584; 9.2184; 6.7372 90; 104.949; 90 | 755.09 | Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis Acta Crystallographica Section B, 2016, 72, 96-101 |
| 2107464 | CIF Paper | C5 H14 N O6 P | P 1 21/a 1 | 11.91; 19.682; 25.516 90; 93.74; 90 | 5969 | Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B, 2016, 72, 117-125 |
| 2107465 | CIF | C5 H14 N O6 P | P -1 | 11.873; 19.569; 14.218 116.88; 93.62; 90.15 | 2938.8 | Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B, 2016, 72, 117-125 |
| 2107466 | CIF | C5 H14 N O6 P | P 1 21/a 1 | 11.39; 6.862; 12.216 90; 97.86; 90 | 945.8 | Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B, 2016, 72, 117-125 |
| 2107467 | CIF | C5 H14 N O6 P | P -1 | 11.336; 20.486; 25.369 105.6; 97.5; 90.17 | 5621 | Ślepokura, Katarzyna Anna Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state Acta Crystallographica Section B, 2016, 72, 117-125 |
| 2107468 | CIF HKL Paper | Ca2 Co O7 Si2 | P 21 21 2 | 23.52; 23.52; 5.03 90; 90; 90 | 2783 | Sazonov, Andrew; Hutanu, Vladimir; Meven, Martin; Roth, Georg; Kézsmárki, István; Murakawa, Hiroshi; Tokura, Yoshinori; Náfrádi, Bálint The low-temperature crystal structure of the multiferroic melilite Ca~2~CoSi~2~O~7~ Acta Crystallographica Section B, 2016, 72, 126-132 |
| 2107469 | CIF Paper | C38 H42 Cu N6 O11 | F d d 2 | 27; 56.855; 10.756 90; 90; 90 | 16511 | Pradhan, Subhashis; Moon, Dohyun; John, Rohith P. A double stranded metal‒organic assembly accommodating a pair of water trimers in the host cavity and catalysing Glaser coupling Acta Crystallographica Section B, 2016, 72, 102-108 |
| 2107470 | CIF Paper | Cs3 O15 Sc Si6 | R -3 m :H | 13.8611; 13.8611; 6.9924 90; 90; 120 | 1163.5 | Hejny, Clivia; Kahlenberg, Volker; Schmidmair, Daniela; Dabić, Predrag (3+1)-Incommensurately modulated crystal structure of Cs~3~ScSi~6~O~15~ Acta Crystallographica Section B, 2016, 72, 109-116 |
| 2107471 | CIF HKL Paper | C28 H24 N2 O4 | P 1 21/n 1 | 7.7952; 7.1669; 20.7708 90; 93.2075; 90 | 1158.59 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107472 | CIF HKL | C15 H14 N2 O3 | P -1 | 8.4176; 10.6487; 15.0679 75.883; 82.329; 83.301 | 1293.14 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107473 | CIF HKL | C15 H14 N2 O3 | P 1 21/c 1 | 14.0191; 6.1871; 16.6387 90; 111.74; 90 | 1340.55 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107474 | CIF HKL | C30 H28 N2 O4 | P -1 | 10.8843; 15.651; 16.6073 63.358; 79.726; 77.722 | 2459.66 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107475 | CIF HKL | C16 H16 N2 O3 | P -1 | 7.0311; 8.6172; 11.949 77.4101; 87.9565; 82.6358 | 700.71 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107476 | CIF HKL | C30 H28 N2 O6 | P 1 21/n 1 | 6.4681; 28.9773; 6.893 90; 103.812; 90 | 1254.58 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107477 | CIF HKL | C16 H16 N2 O4 | P -1 | 9.1225; 11.5523; 14.1938 90.7; 90.577; 104.055 | 1450.81 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107478 | CIF HKL | C17 H18 N2 O5 | P 1 21/c 1 | 14.02; 9.8795; 11.6434 90; 96.975; 90 | 1600.8 | Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer Acta Crystallographica Section B, 2016, 72, 87-95 |
| 2107483 | CIF HKL Paper | C46.111 H40.444 F12 N8 O1.333 P2 Ru | P 1 | 18.3127; 21.3286; 29.264 81.874; 89.211; 69.108 | 10563.1 | Wachter, Erin; Glazer, Edith C.; Parkin, Sean; Brock, Carolyn Pratt An exceptional 5:4 enantiomeric structure Acta Crystallographica Section B, 2016, 72, 223-231 |
| 2107484 | CIF HKL Paper | C6 H6 N4 O4 | P 1 21 1 | 4.1964; 7.0129; 14.4528 90; 90.924; 90 | 425.28 | Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone Acta Crystallographica Section B, 2016, 72, 263-273 |
| 2107485 | CIF HKL | C6 H6 N4 O4 | P 1 21/c 1 | 13.5703; 7.8254; 7.9677 90; 102.26; 90 | 826.82 | Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone Acta Crystallographica Section B, 2016, 72, 263-273 |
| 2107486 | CIF Paper | F K2 O6 Sc Si2 | P 42/m n m | 8.978; 8.978; 8.2608 90; 90; 90 | 665.86 | Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F Acta Crystallographica Section B, 2016, 72, 209-222 |
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