Crystallography Open Database

Information card for entry 4519137

4519136 << 4519137 >> 4519138

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Coordinates	4519137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18.12 N2 O6.06
Calculated formula	C20 H18.119 N2 O6.0595
Title of publication	Drastic Modulation of Molecular Packing and Intrinsic Dissolution Rates by Meniscus-Guided Coating of Extremely Confined Pharmaceutical Thin Films.
Authors of publication	Kafle, Prapti; Sanghavi, Rishabh; Khasbaatar, Azzaya; Punjani, Samdisha; Davies, Daniel W.; Diao, Ying
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	47
Pages of publication	56519 - 56529
a	6.8606 ± 0.0002 Å
b	10.2852 ± 0.0003 Å
c	12.7298 ± 0.0004 Å
α	85.7031 ± 0.0008°
β	87.599 ± 0.0008°
γ	71.4424 ± 0.0008°
Cell volume	848.99 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271018 (current)	2021-12-03	cif/ Adding structures of 4519137 via cif-deposit CGI script.	4519137.cif