cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1p03zs
title: CCDC 1549255: Experimental Crystal Structure Determination

description: Related Article: Yan Li, Rahul Kumar Siwatch, Totan Mondal, Yongxin Li, Rakesh Ganguly, Debasis Koley, Cheuk-Wai So|2017|Inorg.Chem.|56|4112|doi:10.1021/acs.inorgchem.7b00128
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p040v
title: CCDC 1549256: Experimental Crystal Structure Determination

description: Related Article: Yan Li, Rahul Kumar Siwatch, Totan Mondal, Yongxin Li, Rakesh Ganguly, Debasis Koley, Cheuk-Wai So|2017|Inorg.Chem.|56|4112|doi:10.1021/acs.inorgchem.7b00128
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p041w
title: CCDC 1549257: Experimental Crystal Structure Determination

description: Related Article: Yan Li, Rahul Kumar Siwatch, Totan Mondal, Yongxin Li, Rakesh Ganguly, Debasis Koley, Cheuk-Wai So|2017|Inorg.Chem.|56|4112|doi:10.1021/acs.inorgchem.7b00128
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p0461
title: CCDC 1549262: Experimental Crystal Structure Determination

description: Related Article: S.A.Mosyagina, N.V.Kuratieva, K.V.Zherikova|2017|Zh.Strukt.Khim.|58|1546|doi:10.1134/S0022476617080108
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.48577/jpl.helgnf
title: From Fundamental Physics to Biospheres: A Gate-Based Predictive Framework for Life’s Emergence and Persistence

description: We present a physics-based framework that runs from fundamental interactions and constants to biospheres, using a sequence of quantitative nonequilibrium thresholds (“gates”). Each gate is an inequality in measurable variables—free-energy flux, reaction–transport rates, replication fidelity, coding capacity, ecological closure, and climate feedback gains. Crucially, the gate vector is anchored in fundamental physics: dimensionless constants (e.g., the fine-structure constant α and mass ratio me/mp), nuclear resonance placements (e.g., the 12C Hoyle state), and statistical mechanics (Lan- dauer’s bound kB T ln 2) fix the energetic, kinetic, and information-theoretic margins that propagate through the gates. This anchoring lets us propagate sensitivities of the constants into biosphere-level metrics (net primary productivity (NPP), cycle-closure ratios, and climate feedback gain), yielding an end-to-end map from constants to biospheres. The framework is predictive: it maps gates to exoplanet observables and thus specifies what kinds of life-bearing planets we should expect around diﬀerent stars, which chemistries and biosphere archetypes are plausible, and which diagnostics can falsify those expectations. Darwinian dynamics (heritable variation under selection) appears mid-pipeline; the end of the pipeline is a planet-scale biosphere capable of sustaining positive NPP and closing elemental cycles over geologic time. Questions of prevalence are secondary; our primary ob- jective was to establish a constructive physics→chemistry→biology→genetics→ecosystems pipeline with testable margins and observables. We recast abiogenesis and biosphere persistence as a gate vector of falsifiable inequalities and map their margins to exoplanet observables, turning the problem into a phase diagram with explicit, testable slack.
DOI: 10.5517/ccdc.csd.cc1p0483
title: CCDC 1549264: Experimental Crystal Structure Determination

description: Related Article: Oleg A. Levitskiy, Yuri K. Grishin, Ksenia A. Paseshnichenko, Konstantin A. Kochetkov, Tatiana V. Magdesieva|2018|Tetrahedron Lett.|59|2831|doi:10.1016/j.tetlet.2018.06.025
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p0494
title: CCDC 1549265: Experimental Crystal Structure Determination

description: Related Article: Ya-Ni Wang, Bao-Cheng Wang, Mao-Mao Zhang, Xiao-Wen Gao, Tian-Ren Li, Liang-Qiu Lu, and Wen-Jing Xiao|2017|Org.Lett.|19|4094|doi:10.1021/acs.orglett.7b01794
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.48577/jpl.8tktki
title: Detection of CH3+ in the O-rich planetary nebula NGC 6302

description: Planetary nebulae are sites where ejected stellar material evolves into complex molecules, but the precise physical conditions and chemical routes that govern these processes are unclear. The presence of abundant carbon-rich molecules in O-rich environments poses particular challenges. Here we report the first detection of methyl cation (CH3+ ) in any planetary nebula, observed in the O-rich nebula NGC 6302 using JWST MIRI/MRS observations. CH3+ is a key driver of organic chemistry in UV-irradiated environments. Spatially resolved observations reveal that CH3+ is co-located with 12CO, H2 , H II, HCO+ , and Polycyclic aromatic hydrocarbons (PAHs). LTE modelling of the CH3+ emission yields excitation temperatures of 500-800K in the inner bubble and torus, rising to 1000-2000K in the outer bubble of NGC 6302, with column densities ranging from ∼10^11 to 10^13 cm^−2. This detection demonstrates that hydrocarbon radical chemistry must be incorporated into planetary nebulae chemical models. Further near-IR observations are crucial to map different chemical networks operating in these environments.
DOI: 10.5517/ccdc.csd.cc1mhf8t
title: CCDC 1504376: Experimental Crystal Structure Determination

description: Related Article: Zheng Yan, Long-Feng Zhu, Lian-Wen Zhu, Yan Meng, Md. Najbul Hoque, Jun-Liang Liu, Yan-Cong Chen, Zhao-Ping Ni, Ming-Liang Tong|2017|Inorg.Chem.Front.|4|921|doi:10.1039/C7QI00180K
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mhf9v
title: CCDC 1504377: Experimental Crystal Structure Determination

description: Related Article: Zheng Yan, Long-Feng Zhu, Lian-Wen Zhu, Yan Meng, Md. Najbul Hoque, Jun-Liang Liu, Yan-Cong Chen, Zhao-Ping Ni, Ming-Liang Tong|2017|Inorg.Chem.Front.|4|921|doi:10.1039/C7QI00180K
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p04b5
title: CCDC 1549266: Experimental Crystal Structure Determination

description: Related Article: Ya-Ni Wang, Bao-Cheng Wang, Mao-Mao Zhang, Xiao-Wen Gao, Tian-Ren Li, Liang-Qiu Lu, and Wen-Jing Xiao|2017|Org.Lett.|19|4094|doi:10.1021/acs.orglett.7b01794
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1myz0k
title: CCDC 1518349: Experimental Crystal Structure Determination

description: Related Article: Indranil Sinha, Yuseop Lee, Choongman Bae, Samat Tussupbayev, Yujin Lee, Min-Seob Seo, Jin Kim, Mu-Hyun Baik, Yunho Lee, Hyunwoo Kim|2017|Cat.Sci.Tech.|7|4375|doi:10.1039/C7CY01435J
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1myz1l
title: CCDC 1518350: Experimental Crystal Structure Determination

description: Related Article: Indranil Sinha, Yuseop Lee, Choongman Bae, Samat Tussupbayev, Yujin Lee, Min-Seob Seo, Jin Kim, Mu-Hyun Baik, Yunho Lee, Hyunwoo Kim|2017|Cat.Sci.Tech.|7|4375|doi:10.1039/C7CY01435J
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.48577/jpl.lbola5
title: Studying the Dust Distribution Around Accreting Black Holes with Reverberation Mapping Using PRIMA

description: Variability studies are a powerful tool for studying the structures of unresolved sources. One such type of variability study, called reverberation mapping (RM), established that the dominant source of infrared radiation from an active galactic nucleus (AGN) was from dust absorption and re-emission, which demonstrated that the optical brightening and fading of light from the accretion disk (AD) around a supermassive black hole was followed by a corresponding (delayed) variation at infrared (IR) wavelengths from the surrounding dust distribution. Since that time a great deal more has been learned about the dust distribution around ADs, both near the AD in the form of a potential torus, as well as extended emission in the form of polar dust outflows. Understanding the dust distribution is vital to understanding how AGNs affect their host galaxy as well as the overall energetics of AGNs as ~50% of energy from an AGN comes out in the IR. Dust RM has been done exclusively in the near-IR (1-5 microns) which traces the inner edge of the dust near the dust sublimation radius. Hence extending RM to the mid-IR, especially to the peak of the dust emission between 25 and 30 microns, allows for an examination of the dust distribution around ADs and potentially traces the source of the polar outflow. RM with the proposed PRobe far-Infrared Mission for Astrophysics (PRIMA) can focus on variability-monitoring of a sample of low- to high-luminosity AGNs to trace the 25-30 micron emission that is reverberated from the UV/optical AD emission which will be monitored by other space and ground-based observatories and made available to PRIMA users. Then, by detailed modeling of the response of the dust emission to shorter wavelengths, the distribution of the dust around an AGN will be revealed and can be linked to the accretion disk luminosities.
DOI: 10.5285/b6d3de94-c1db-42f6-9342-061f6b74d99c
title: Solar Wind and Geomagnetic Conditions that Lead to the Largest Relativistic Electron Fluxes in GPS Orbit

description: Relativistic electrons are an important space weather hazard. We use approximately 20 years of data from the US Global Positioning System (GPS) satellite NS41 to deter mine the characteristics of the geomagnetic storms that lead to the largest relativistic electron fluxes in GPS orbit. The largest CME-driven events are associated with negative excursions of IMF Bz with minimum values of ~-14 nT two hours prior to zero epoch, defined as the time of the minimum in the Dst index, and strong Dst minima, reaching ~-130 nT at zero epoch. The flux of E = 2.0 MeV electrons associated with the largest CME-driven events peak ~4 days following zero epoch. In contrast, events driven by high speed solar wind streams (HSSs) are associated with smaller negative excursions of IMF Bz with minimum values of ~-4 nT two hours prior to zero epoch and moderate Dst minima, reaching ~-60 nT at zero epoch. The flux of E = 2.0 MeV electrons associated with the largest HSS-driven events peaks 2.9 days following zero epoch at L=4.5, and after 4.6 days at L=6.5. Compared with HSS-driven events, peak E = 2.0 MeV fluxes associated with CME-driven events are larger by factors of 1.2 at L=4.5, and 2.2 at L=6.5. Both the CME- and HSS-driven events are associated with enhancements in the solar wind number density and pressure prior to zero epoch. Following zero epoch the solar wind number density and pressure become low and substorm activity is enhanced for several days.
description: The data used in this study were collected by the Burst Detector Dosimeter IIR (BDD-IIR) on board the US GPS satellite NS41. The data is publicly available from http://www.ngdc.noaa.gov/stp/space-weather/satellite-data/satellite-systems/gps/data/ns41. Full details of the subsequent analysis are given in Meredith et al. (2025).
description: BDD-IIR is a multi-purpose silicon detector system. It features 8 individual channels of a "shield/filter/sensor" design that permits the detector to sample roughly half the celestial sphere while at the same time shielding the silicon sensor elements from most of the incident particle flux.
description: The particle data have been calibrated and quality-controlled prior to release.
DOI: 10.5517/ccdc.csd.cc1myz2m
title: CCDC 1518351: Experimental Crystal Structure Determination

description: Related Article: Indranil Sinha, Yuseop Lee, Choongman Bae, Samat Tussupbayev, Yujin Lee, Min-Seob Seo, Jin Kim, Mu-Hyun Baik, Yunho Lee, Hyunwoo Kim|2017|Cat.Sci.Tech.|7|4375|doi:10.1039/C7CY01435J
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1myz3n
title: CCDC 1518352: Experimental Crystal Structure Determination

description: Related Article: Indranil Sinha, Yuseop Lee, Choongman Bae, Samat Tussupbayev, Yujin Lee, Min-Seob Seo, Jin Kim, Mu-Hyun Baik, Yunho Lee, Hyunwoo Kim|2017|Cat.Sci.Tech.|7|4375|doi:10.1039/C7CY01435J
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p04c6
title: CCDC 1549267: Experimental Crystal Structure Determination

description: Related Article: Nuria Portoles-Gil, Ricard Parra-Aliana, Ángel Álvarez-Larena, Concepción Domingo, José A. Ayllón, Ana López-Periago|2017|CrystEngComm|19|4972|doi:10.1039/C7CE00909G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p04d7
title: CCDC 1549268: Experimental Crystal Structure Determination

description: Related Article: Nuria Portoles-Gil, Ricard Parra-Aliana, Ángel Álvarez-Larena, Concepción Domingo, José A. Ayllón, Ana López-Periago|2017|CrystEngComm|19|4972|doi:10.1039/C7CE00909G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1ky34r
title: CCDC 1457934: Experimental Crystal Structure Determination

description: Related Article: Stefan C. Meier, Albina Holz, Alexei Schmidt, Daniel Kratzert, Daniel Himmel, Ingo Krossing|2017|Chem.-Eur.J.|23|14658|doi:10.1002/chem.201703589
description: Related Article: Stefan C. Meier,  Daniel Himmel,  Ingo Krossing|2018|Chem.-Eur.J.|24|19348|doi:10.1002/chem.201804546
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1ky0vc
title: CCDC 1457863: Experimental Crystal Structure Determination

description: Related Article: Stefan C. Meier, Albina Holz, Alexei Schmidt, Daniel Kratzert, Daniel Himmel, Ingo Krossing|2017|Chem.-Eur.J.|23|14658|doi:10.1002/chem.201703589
description: Related Article: Stefan C. Meier,  Daniel Himmel,  Ingo Krossing|2018|Chem.-Eur.J.|24|19348|doi:10.1002/chem.201804546
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1nszm1
title: CCDC 1543354: Experimental Crystal Structure Determination

description: Related Article: Zhongyu Zhang, Meng Chen, Mingqiong Tong, Wan Sun, Pingxuan Dong, Xinfeng Song, Xiaoyue Wang|2022|Heterocyclic Communications|28|84|doi:10.1515/hc-2022-0011
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p062z
title: CCDC 1549320: Experimental Crystal Structure Determination

description: Related Article: Xiu-Yan Dong, Bao-Jun Wang, Quan-Peng Kang, Wen-Kui Dong|2018|Appl.Organomet.Chem.|32|e4373|doi:10.1002/aoc.4373
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p0630
title: CCDC 1549321: Experimental Crystal Structure Determination

description: Related Article: Xiu-Yan Dong, Bao-Jun Wang, Quan-Peng Kang, Wen-Kui Dong|2018|Appl.Organomet.Chem.|32|e4373|doi:10.1002/aoc.4373
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p0786
title: CCDC 1549357: Experimental Crystal Structure Determination

description: Related Article: Gaosheng Yang|2017|CSD Communication|||
description: Related Article: Zhuo Chai, Yemei Wang, Mujun Tang, Xiaolong Mu, Jinsong Hou, Gaosheng Yang|2017|J.Organomet.Chem.|846|236|doi:10.1016/j.jorganchem.2017.06.024
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p0797
title: CCDC 1549358: Experimental Crystal Structure Determination

description: Related Article: Gaosheng Yang|2017|CSD Communication|||
description: Related Article: Zhuo Chai, Yemei Wang, Mujun Tang, Xiaolong Mu, Jinsong Hou, Gaosheng Yang|2017|J.Organomet.Chem.|846|236|doi:10.1016/j.jorganchem.2017.06.024
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p07b8
title: CCDC 1549359: Experimental Crystal Structure Determination

description: Related Article: Gaosheng Yang|2017|CSD Communication|||
description: Related Article: Zhuo Chai, Yemei Wang, Mujun Tang, Xiaolong Mu, Jinsong Hou, Gaosheng Yang|2017|J.Organomet.Chem.|846|236|doi:10.1016/j.jorganchem.2017.06.024
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1p07c9
title: CCDC 1549360: Experimental Crystal Structure Determination

description: Related Article: Gaosheng Yang|2017|CSD Communication|||
description: Related Article: Zhuo Chai, Yemei Wang, Mujun Tang, Xiaolong Mu, Jinsong Hou, Gaosheng Yang|2017|J.Organomet.Chem.|846|236|doi:10.1016/j.jorganchem.2017.06.024
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.